Warning: Permanently added '162.133.132.9' (ED25519) to the list of known hosts. You can reproduce this build on your computer by running: sudo dnf install copr-rpmbuild /usr/bin/copr-rpmbuild --verbose --drop-resultdir --task-url https://copr.fedorainfracloud.org/backend/get-build-task/6408108-fedora-rawhide-s390x --chroot fedora-rawhide-s390x Version: 0.69 PID: 103000 Logging PID: 103001 Task: {'appstream': False, 'background': True, 'build_id': 6408108, 'buildroot_pkgs': [], 'chroot': 'fedora-rawhide-s390x', 'enable_net': False, 'fedora_review': False, 'git_hash': '2ab9a2f0c774bff8f18ac57b3b853a90ec919e66', 'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/tuliom/zlib-ng-compat-mpb/apbs', 'isolation': 'default', 'memory_reqs': 2048, 'package_name': 'apbs', 'package_version': '3.0.0-20', 'project_dirname': 'zlib-ng-compat-mpb', 'project_name': 'zlib-ng-compat-mpb', 'project_owner': 'tuliom', 'repo_priority': None, 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/tuliom/zlib-ng-compat-mpb/fedora-rawhide-s390x/', 'id': 'copr_base', 'name': 'Copr repository', 'priority': None}], 'sandbox': 'tuliom/zlib-ng-compat-mpb--tuliom', 'source_json': {}, 'source_type': None, 'submitter': 'tuliom', 'tags': [], 'task_id': '6408108-fedora-rawhide-s390x', 'timeout': 115200, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/tuliom/zlib-ng-compat-mpb/apbs /var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs --depth 500 --no-single-branch --recursive cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/tuliom/zlib-ng-compat-mpb/apbs', '/var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs'... Running: git checkout 2ab9a2f0c774bff8f18ac57b3b853a90ec919e66 -- cmd: ['git', 'checkout', '2ab9a2f0c774bff8f18ac57b3b853a90ec919e66', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs rc: 0 stdout: stderr: Note: switching to '2ab9a2f0c774bff8f18ac57b3b853a90ec919e66'. You are in 'detached HEAD' state. You can look around, make experimental changes and commit them, and you can discard any commits you make in this state without impacting any branches by switching back to a branch. If you want to create a new branch to retain commits you create, you may do so (now or later) by using -c with the switch command. Example: git switch -c Or undo this operation with: git switch - Turn off this advice by setting config variable advice.detachedHead to false HEAD is now at 2ab9a2f automatic import of apbs Running: copr-distgit-client sources cmd: ['copr-distgit-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs rc: 0 stdout: /usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated stderr: INFO: Reading stdout from command: git rev-parse --abbrev-ref HEAD INFO: Reading stdout from command: git rev-parse HEAD INFO: Reading sources specification file: sources INFO: Downloading apbs-3.0.0.tar.gz INFO: Reading stdout from command: curl --help all INFO: Calling: curl -H Pragma: -o apbs-3.0.0.tar.gz --location --connect-timeout 60 --retry 3 --retry-delay 10 --remote-time --show-error --fail --retry-all-errors https://copr-dist-git.fedorainfracloud.org/repo/pkgs/tuliom/zlib-ng-compat-mpb/apbs/apbs-3.0.0.tar.gz/md5/f54dff1a670e1dc766d5ad3f775b5de8/apbs-3.0.0.tar.gz % Total % Received % Xferd Average Speed Time Time Time Current Dload Upload Total Spent Left Speed 100 25.9M 100 25.9M 0 0 3401k 0 0:00:07 0:00:07 --:--:-- 5554k INFO: Reading stdout from command: md5sum apbs-3.0.0.tar.gz Running (timeout=115200): unbuffer mock --spec /var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs/apbs.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1695066821.691853 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 5.1.1 starting (python version = 3.11.3, NVR = mock-5.1.1-1.fc38)... Start(bootstrap): init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish(bootstrap): init plugins Start: init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish: init plugins INFO: Signal handler active Start: run INFO: Start(/var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs/apbs.spec) Config(fedora-rawhide-s390x) Start: clean chroot Finish: clean chroot Mock Version: 5.1.1 INFO: Mock Version: 5.1.1 Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-s390x-bootstrap-1695066821.691853/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata INFO: Guessed host environment type: unknown INFO: Using bootstrap image: registry.fedoraproject.org/fedora:rawhide INFO: Pulling image: registry.fedoraproject.org/fedora:rawhide INFO: Copy content of container registry.fedoraproject.org/fedora:rawhide to /var/lib/mock/fedora-rawhide-s390x-bootstrap-1695066821.691853/root INFO: Checking that registry.fedoraproject.org/fedora:rawhide image matches host's architecture INFO: mounting registry.fedoraproject.org/fedora:rawhide with podman image mount INFO: image registry.fedoraproject.org/fedora:rawhide as /var/lib/containers/storage/overlay/e9b44bbd1d17ea82ed1e0b70d4b6605c8df9a8e45d59034bf307f8619d27a60f/merged INFO: umounting image registry.fedoraproject.org/fedora:rawhide (/var/lib/containers/storage/overlay/e9b44bbd1d17ea82ed1e0b70d4b6605c8df9a8e45d59034bf307f8619d27a60f/merged) with podman image umount INFO: Package manager dnf detected and used (fallback) INFO: Bootstrap image not marked ready Start(bootstrap): installing dnf tooling No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 753 kB/s | 4.5 MB 00:06 fedora 13 MB/s | 63 MB 00:04 Last metadata expiration check: 0:00:01 ago on Mon Sep 18 19:53:57 2023. Package python3-dnf-4.16.2-4.fc40.noarch is already installed. Dependencies resolved. ================================================================================ Package Arch Version Repository Size ================================================================================ Installing: python3-dnf-plugins-core noarch 4.4.2-1.fc39 fedora 293 k Installing dependencies: dbus-libs s390x 1:1.14.10-1.fc40 fedora 159 k python3-dateutil noarch 1:2.8.2-10.fc39 fedora 355 k python3-dbus s390x 1.3.2-4.fc39 fedora 157 k python3-distro noarch 1.8.0-6.fc39 fedora 49 k python3-six noarch 1.16.0-12.fc39 fedora 41 k python3-systemd s390x 235-5.fc39 fedora 106 k Transaction Summary ================================================================================ Install 7 Packages Total download size: 1.1 M Installed size: 3.5 M Downloading Packages: (1/7): dbus-libs-1.14.10-1.fc40.s390x.rpm 181 kB/s | 159 kB 00:00 (2/7): python3-dbus-1.3.2-4.fc39.s390x.rpm 176 kB/s | 157 kB 00:00 (3/7): python3-distro-1.8.0-6.fc39.noarch.rpm 265 kB/s | 49 kB 00:00 (4/7): python3-dateutil-2.8.2-10.fc39.noarch.rp 328 kB/s | 355 kB 00:01 (5/7): python3-six-1.16.0-12.fc39.noarch.rpm 229 kB/s | 41 kB 00:00 (6/7): python3-systemd-235-5.fc39.s390x.rpm 541 kB/s | 106 kB 00:00 (7/7): python3-dnf-plugins-core-4.4.2-1.fc39.no 757 kB/s | 293 kB 00:00 -------------------------------------------------------------------------------- Total 640 kB/s | 1.1 MB 00:01 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : python3-systemd-235-5.fc39.s390x 1/7 Installing : python3-six-1.16.0-12.fc39.noarch 2/7 Installing : python3-dateutil-1:2.8.2-10.fc39.noarch 3/7 Installing : python3-distro-1.8.0-6.fc39.noarch 4/7 Installing : dbus-libs-1:1.14.10-1.fc40.s390x 5/7 Installing : python3-dbus-1.3.2-4.fc39.s390x 6/7 Installing : python3-dnf-plugins-core-4.4.2-1.fc39.noarch 7/7 Running scriptlet: python3-dnf-plugins-core-4.4.2-1.fc39.noarch 7/7 Verifying : dbus-libs-1:1.14.10-1.fc40.s390x 1/7 Verifying : python3-dateutil-1:2.8.2-10.fc39.noarch 2/7 Verifying : python3-dbus-1.3.2-4.fc39.s390x 3/7 Verifying : python3-distro-1.8.0-6.fc39.noarch 4/7 Verifying : python3-dnf-plugins-core-4.4.2-1.fc39.noarch 5/7 Verifying : python3-six-1.16.0-12.fc39.noarch 6/7 Verifying : python3-systemd-235-5.fc39.s390x 7/7 Installed: dbus-libs-1:1.14.10-1.fc40.s390x python3-dateutil-1:2.8.2-10.fc39.noarch python3-dbus-1.3.2-4.fc39.s390x python3-distro-1.8.0-6.fc39.noarch python3-dnf-plugins-core-4.4.2-1.fc39.noarch python3-six-1.16.0-12.fc39.noarch python3-systemd-235-5.fc39.s390x Complete! Finish(bootstrap): installing dnf tooling Start(bootstrap): creating root cache Finish(bootstrap): creating root cache Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin INFO: Package manager dnf detected and used (direct choice) Start: installing minimal buildroot with dnf No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 2.3 kB/s | 1.5 kB 00:00 Copr repository 810 kB/s | 4.5 MB 00:05 fedora 7.0 kB/s | 6.1 kB 00:00 Dependencies resolved. ================================================================================ Package Arch Version Repo Size ================================================================================ Installing group/module packages: bash s390x 5.2.15-5.fc39 fedora 1.8 M bzip2 s390x 1.0.8-16.fc39 fedora 53 k coreutils s390x 9.4-1.fc40 fedora 1.2 M cpio s390x 2.14-4.fc39 fedora 283 k diffutils s390x 3.10-3.fc39 fedora 407 k fedora-release-common noarch 40-0.7 fedora 18 k findutils s390x 1:4.9.0-6.fc40 fedora 497 k gawk s390x 5.2.2-2.fc39 fedora 1.1 M glibc-minimal-langpack s390x 2.38.9000-8.fc40 copr_base 73 k grep s390x 3.11-5.fc40 fedora 305 k gzip s390x 1.12-6.fc39 fedora 173 k info s390x 7.0.3-3.fc39 fedora 192 k patch s390x 2.7.6-22.fc39 fedora 134 k redhat-rpm-config noarch 270-1.fc40 copr_base 74 k rpm-build s390x 4.18.99-1.fc40 fedora 78 k sed s390x 4.8-14.fc39 fedora 309 k shadow-utils s390x 2:4.14.0-1.fc40 fedora 1.3 M tar s390x 2:1.35-2.fc40 fedora 874 k unzip s390x 6.0-62.fc39 fedora 194 k util-linux s390x 2.39.2-1.fc40 copr_base 1.1 M which s390x 2.21-40.fc39 fedora 43 k xz s390x 5.4.4-1.fc39 fedora 557 k Installing dependencies: alternatives s390x 1.25-1.fc39 fedora 39 k ansible-srpm-macros noarch 1-11.fc39 fedora 21 k audit-libs s390x 3.1.2-4.fc40 fedora 121 k authselect s390x 1.4.2-3.fc39 fedora 144 k authselect-libs s390x 1.4.2-3.fc39 fedora 247 k basesystem noarch 11-18.fc39 fedora 7.2 k binutils s390x 2.41-5.fc40 fedora 5.9 M binutils-gold s390x 2.41-5.fc40 fedora 993 k bzip2-libs s390x 1.0.8-16.fc39 fedora 46 k ca-certificates noarch 2023.2.60_v7.0.306-3.fc40 fedora 837 k coreutils-common s390x 9.4-1.fc40 fedora 2.1 M cracklib s390x 2.9.11-2.fc40 copr_base 84 k crypto-policies noarch 20230731-1.git5ed06e0.fc39 fedora 99 k curl s390x 8.3.0-1.fc40 copr_base 354 k cyrus-sasl-lib s390x 2.1.28-11.fc39 fedora 819 k debugedit s390x 5.0-10.fc39 fedora 81 k dwz s390x 0.15-3.fc39 fedora 144 k ed s390x 1.19-4.fc39 fedora 80 k efi-srpm-macros noarch 5-9.fc39 fedora 22 k elfutils s390x 0.189-6.fc40 copr_base 555 k elfutils-debuginfod-client s390x 0.189-6.fc40 copr_base 39 k elfutils-default-yama-scope noarch 0.189-6.fc40 copr_base 14 k elfutils-libelf s390x 0.189-6.fc40 copr_base 201 k elfutils-libs s390x 0.189-6.fc40 copr_base 275 k fedora-gpg-keys noarch 40-0.1 fedora 130 k fedora-release noarch 40-0.7 fedora 8.0 k fedora-release-identity-basic noarch 40-0.7 fedora 8.8 k fedora-repos noarch 40-0.1 fedora 9.4 k fedora-repos-rawhide noarch 40-0.1 fedora 9.0 k file s390x 5.45-1.fc40 copr_base 50 k file-libs s390x 5.45-1.fc40 copr_base 770 k filesystem s390x 3.18-6.fc39 fedora 1.1 M fonts-srpm-macros noarch 1:2.0.5-12.fc39 fedora 26 k forge-srpm-macros noarch 0.1.0-1.fc40 fedora 18 k fpc-srpm-macros noarch 1.3-8.fc39 fedora 7.4 k gdb-minimal s390x 13.2-8.fc40 fedora 4.0 M gdbm-libs s390x 1:1.23-4.fc39 fedora 58 k ghc-srpm-macros noarch 1.6.1-2.fc39 fedora 7.8 k glibc s390x 2.38.9000-8.fc40 copr_base 1.8 M glibc-common s390x 2.38.9000-8.fc40 copr_base 368 k glibc-gconv-extra s390x 2.38.9000-8.fc40 copr_base 1.6 M gmp s390x 1:6.2.1-5.fc39 fedora 325 k gnat-srpm-macros noarch 6-3.fc39 fedora 8.8 k go-srpm-macros noarch 3.2.0-7.fc40 fedora 27 k jansson s390x 2.13.1-7.fc39 fedora 44 k kernel-srpm-macros noarch 1.0-20.fc39 fedora 10 k keyutils-libs s390x 1.6.1-7.fc39 fedora 31 k krb5-libs s390x 1.21.2-1.fc40 fedora 780 k libacl s390x 2.3.1-9.fc40 fedora 24 k libarchive s390x 3.7.2-1.fc40 copr_base 441 k libattr s390x 2.5.1-9.fc40 fedora 18 k libblkid s390x 2.39.2-1.fc40 copr_base 121 k libbrotli s390x 1.1.0-1.fc40 fedora 379 k libcap s390x 2.48-7.fc39 fedora 69 k libcap-ng s390x 0.8.3-8.fc40 fedora 32 k libcom_err s390x 1.47.0-2.fc39 fedora 26 k libcurl s390x 8.3.0-1.fc40 copr_base 362 k libdb s390x 5.3.28-58.fc40 copr_base 775 k libeconf s390x 0.5.2-1.fc40 fedora 32 k libevent s390x 2.1.12-9.fc39 fedora 260 k libfdisk s390x 2.39.2-1.fc40 copr_base 166 k libffi s390x 3.4.4-4.fc39 fedora 36 k libgcc s390x 13.2.1-1.fc40 copr_base 82 k libgomp s390x 13.2.1-1.fc40 copr_base 323 k libidn2 s390x 2.3.4-3.fc39 fedora 118 k libmount s390x 2.39.2-1.fc40 copr_base 159 k libnghttp2 s390x 1.56.0-1.fc40 copr_base 78 k libnsl2 s390x 2.0.0-6.fc39 fedora 30 k libpkgconf s390x 1.9.5-2.fc39 fedora 38 k libpsl s390x 0.21.2-4.fc39 fedora 63 k libpwquality s390x 1.4.5-6.fc39 fedora 121 k libselinux s390x 3.5-5.fc39 fedora 91 k libsemanage s390x 3.5-4.fc39 fedora 122 k libsepol s390x 3.5-2.fc39 fedora 330 k libsigsegv s390x 2.14-5.fc39 fedora 27 k libsmartcols s390x 2.39.2-1.fc40 copr_base 70 k libssh s390x 0.10.5-2.fc39 fedora 209 k libssh-config noarch 0.10.5-2.fc39 fedora 9.2 k libstdc++ s390x 13.2.1-1.fc40 copr_base 949 k libtasn1 s390x 4.19.0-3.fc39 fedora 77 k libtirpc s390x 1.3.3-1.rc2.fc39 fedora 95 k libunistring s390x 1.1-5.fc40 fedora 556 k libutempter s390x 1.2.1-10.fc39 fedora 26 k libuuid s390x 2.39.2-1.fc40 copr_base 29 k libverto s390x 0.3.2-6.fc39 fedora 21 k libxcrypt s390x 4.4.36-2.fc39 fedora 124 k libxml2 s390x 2.11.5-1.fc40 copr_base 711 k libzstd s390x 1.5.5-4.fc40 copr_base 343 k lua-libs s390x 5.4.6-3.fc39 fedora 142 k lua-srpm-macros noarch 1-9.fc39 fedora 8.6 k lz4-libs s390x 1.9.4-4.fc39 fedora 81 k mpfr s390x 4.2.0-3.fc39 fedora 298 k ncurses-base noarch 6.4-7.20230520.fc40 fedora 88 k ncurses-libs s390x 6.4-7.20230520.fc40 fedora 361 k ocaml-srpm-macros noarch 8-2.fc39 fedora 14 k openblas-srpm-macros noarch 2-14.fc39 fedora 7.5 k openldap s390x 2.6.6-1.fc39 fedora 262 k openssl-libs s390x 1:3.1.1-4.fc40 copr_base 1.9 M p11-kit s390x 0.25.0-2.fc39 fedora 507 k p11-kit-trust s390x 0.25.0-2.fc39 fedora 141 k package-notes-srpm-macros noarch 0.5-9.fc39 fedora 11 k pam s390x 1.5.3-2.fc39 fedora 558 k pam-libs s390x 1.5.3-2.fc39 fedora 59 k pcre2 s390x 10.42-1.fc39.2 fedora 250 k pcre2-syntax noarch 10.42-1.fc39.2 fedora 143 k perl-srpm-macros noarch 1-51.fc39 fedora 8.0 k pkgconf s390x 1.9.5-2.fc39 fedora 43 k pkgconf-m4 noarch 1.9.5-2.fc39 fedora 14 k pkgconf-pkg-config s390x 1.9.5-2.fc39 fedora 9.6 k popt s390x 1.19-3.fc39 fedora 69 k publicsuffix-list-dafsa noarch 20230812-1.fc40 fedora 57 k pyproject-srpm-macros noarch 1.9.0-2.fc39 fedora 14 k python-srpm-macros noarch 3.12-4.fc40 fedora 25 k qt5-srpm-macros noarch 5.15.10-2.fc39 fedora 8.3 k qt6-srpm-macros noarch 6.5.2-2.fc39 fedora 9.2 k readline s390x 8.2-4.fc39 fedora 229 k rpm s390x 4.18.99-1.fc40 fedora 538 k rpm-build-libs s390x 4.18.99-1.fc40 fedora 97 k rpm-libs s390x 4.18.99-1.fc40 fedora 323 k rpm-sequoia s390x 1.5.0-1.fc40 fedora 1.0 M rust-srpm-macros noarch 24-5.fc40 fedora 12 k setup noarch 2.14.4-1.fc39 fedora 154 k sqlite-libs s390x 3.43.1-1.fc40 fedora 737 k systemd-libs s390x 254.1-2.fc40 fedora 696 k tzdata noarch 2023c-3.fc40 fedora 718 k util-linux-core s390x 2.39.2-1.fc40 copr_base 483 k xxhash-libs s390x 0.8.2-1.fc39 fedora 37 k xz-libs s390x 5.4.4-1.fc39 fedora 114 k zip s390x 3.0-38.fc39 fedora 283 k zlib-ng-compat s390x 2.1.3-3.fc40 copr_base 71 k zstd s390x 1.5.5-4.fc40 copr_base 506 k Installing Groups: Buildsystem building group Transaction Summary ================================================================================ Install 153 Packages Total size: 53 M Installed size: 181 M Downloading Packages: [SKIPPED] cracklib-2.9.11-2.fc40.s390x.rpm: Already downloaded [SKIPPED] curl-8.3.0-1.fc40.s390x.rpm: Already downloaded [SKIPPED] elfutils-0.189-6.fc40.s390x.rpm: Already downloaded [SKIPPED] elfutils-debuginfod-client-0.189-6.fc40.s390x.rpm: Already downloaded [SKIPPED] elfutils-default-yama-scope-0.189-6.fc40.noarch.rpm: Already downloaded [SKIPPED] elfutils-libelf-0.189-6.fc40.s390x.rpm: Already downloaded [SKIPPED] elfutils-libs-0.189-6.fc40.s390x.rpm: Already downloaded [SKIPPED] file-5.45-1.fc40.s390x.rpm: Already downloaded [SKIPPED] file-libs-5.45-1.fc40.s390x.rpm: Already downloaded [SKIPPED] glibc-2.38.9000-8.fc40.s390x.rpm: Already downloaded [SKIPPED] glibc-common-2.38.9000-8.fc40.s390x.rpm: Already downloaded [SKIPPED] glibc-gconv-extra-2.38.9000-8.fc40.s390x.rpm: Already downloaded [SKIPPED] glibc-minimal-langpack-2.38.9000-8.fc40.s390x.rpm: Already downloaded [SKIPPED] libarchive-3.7.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libblkid-2.39.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libcurl-8.3.0-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libdb-5.3.28-58.fc40.s390x.rpm: Already downloaded [SKIPPED] libfdisk-2.39.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libgcc-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libgomp-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libmount-2.39.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libnghttp2-1.56.0-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libsmartcols-2.39.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libstdc++-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libuuid-2.39.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libxml2-2.11.5-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libzstd-1.5.5-4.fc40.s390x.rpm: Already downloaded [SKIPPED] openssl-libs-3.1.1-4.fc40.s390x.rpm: Already downloaded [SKIPPED] redhat-rpm-config-270-1.fc40.noarch.rpm: Already downloaded [SKIPPED] util-linux-2.39.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] util-linux-core-2.39.2-1.fc40.s390x.rpm: Already downloaded [SKIPPED] zlib-ng-compat-2.1.3-3.fc40.s390x.rpm: Already downloaded [SKIPPED] zstd-1.5.5-4.fc40.s390x.rpm: Already downloaded [SKIPPED] alternatives-1.25-1.fc39.s390x.rpm: Already downloaded [SKIPPED] ansible-srpm-macros-1-11.fc39.noarch.rpm: Already downloaded [SKIPPED] audit-libs-3.1.2-4.fc40.s390x.rpm: Already downloaded [SKIPPED] authselect-1.4.2-3.fc39.s390x.rpm: Already downloaded [SKIPPED] authselect-libs-1.4.2-3.fc39.s390x.rpm: Already downloaded [SKIPPED] basesystem-11-18.fc39.noarch.rpm: Already downloaded [SKIPPED] bash-5.2.15-5.fc39.s390x.rpm: Already downloaded [SKIPPED] binutils-2.41-5.fc40.s390x.rpm: Already downloaded [SKIPPED] binutils-gold-2.41-5.fc40.s390x.rpm: Already downloaded [SKIPPED] bzip2-1.0.8-16.fc39.s390x.rpm: Already downloaded [SKIPPED] bzip2-libs-1.0.8-16.fc39.s390x.rpm: Already downloaded [SKIPPED] ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch.rpm: Already downloaded [SKIPPED] coreutils-9.4-1.fc40.s390x.rpm: Already downloaded [SKIPPED] coreutils-common-9.4-1.fc40.s390x.rpm: Already downloaded [SKIPPED] cpio-2.14-4.fc39.s390x.rpm: Already downloaded [SKIPPED] 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/usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-40-primary Key imported successfully fedora 1.6 MB/s | 1.6 kB 00:00 GPG key at file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-40-primary (0xA15B79CC) is already installed fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x18B8E74C: Userid : "Fedora (39) " Fingerprint: E8F2 3996 F232 1864 0CB4 4CBE 75CF 5AC4 18B8 E74C From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-39-primary Key imported successfully Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. 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p11-kit-trust-0.25.0-2.fc39.s390x 104/153 Installing : libverto-0.3.2-6.fc39.s390x 105/153 Installing : xxhash-libs-0.8.2-1.fc39.s390x 106/153 Installing : libssh-config-0.10.5-2.fc39.noarch 107/153 Installing : kernel-srpm-macros-1.0-20.fc39.noarch 108/153 Installing : gnat-srpm-macros-6-3.fc39.noarch 109/153 Installing : ghc-srpm-macros-1.6.1-2.fc39.noarch 110/153 Installing : fpc-srpm-macros-1.3-8.fc39.noarch 111/153 Installing : coreutils-common-9.4-1.fc40.s390x 112/153 Installing : openssl-libs-1:3.1.1-4.fc40.s390x 113/153 Installing : coreutils-9.4-1.fc40.s390x 114/153 Running scriptlet: ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch 115/153 Installing : ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch 115/153 Running scriptlet: ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch 115/153 Installing : krb5-libs-1.21.2-1.fc40.s390x 116/153 Installing : libtirpc-1.3.3-1.rc2.fc39.s390x 117/153 Running scriptlet: authselect-libs-1.4.2-3.fc39.s390x 118/153 Installing : authselect-libs-1.4.2-3.fc39.s390x 118/153 Installing : gzip-1.12-6.fc39.s390x 119/153 Installing : cracklib-2.9.11-2.fc40.s390x 120/153 Installing : libpwquality-1.4.5-6.fc39.s390x 121/153 Installing : authselect-1.4.2-3.fc39.s390x 122/153 Installing : libnsl2-2.0.0-6.fc39.s390x 123/153 Installing : pam-1.5.3-2.fc39.s390x 124/153 Installing : libssh-0.10.5-2.fc39.s390x 125/153 Installing : libarchive-3.7.2-1.fc40.s390x 126/153 Installing : libevent-2.1.12-9.fc39.s390x 127/153 Installing : openldap-2.6.6-1.fc39.s390x 128/153 Installing : libcurl-8.3.0-1.fc40.s390x 129/153 Installing : elfutils-libs-0.189-6.fc40.s390x 130/153 Installing : elfutils-debuginfod-client-0.189-6.fc40.s390x 131/153 Installing : binutils-gold-2.41-5.fc40.s390x 132/153 Running scriptlet: binutils-gold-2.41-5.fc40.s390x 132/153 Installing : binutils-2.41-5.fc40.s390x 133/153 Running scriptlet: binutils-2.41-5.fc40.s390x 133/153 Installing : elfutils-0.189-6.fc40.s390x 134/153 Installing : gdb-minimal-13.2-8.fc40.s390x 135/153 Installing : debugedit-5.0-10.fc39.s390x 136/153 Installing : curl-8.3.0-1.fc40.s390x 137/153 Installing : rpm-sequoia-1.5.0-1.fc40.s390x 138/153 Installing : rpm-libs-4.18.99-1.fc40.s390x 139/153 Running scriptlet: rpm-4.18.99-1.fc40.s390x 140/153 Installing : rpm-4.18.99-1.fc40.s390x 140/153 Installing : efi-srpm-macros-5-9.fc39.noarch 141/153 Installing : lua-srpm-macros-1-9.fc39.noarch 142/153 Installing : rpm-build-libs-4.18.99-1.fc40.s390x 143/153 Installing : ansible-srpm-macros-1-11.fc39.noarch 144/153 Installing : fonts-srpm-macros-1:2.0.5-12.fc39.noarch 145/153 Installing : forge-srpm-macros-0.1.0-1.fc40.noarch 146/153 Installing : go-srpm-macros-3.2.0-7.fc40.noarch 147/153 Installing : python-srpm-macros-3.12-4.fc40.noarch 148/153 Installing : redhat-rpm-config-270-1.fc40.noarch 149/153 Installing : rpm-build-4.18.99-1.fc40.s390x 150/153 Installing : util-linux-2.39.2-1.fc40.s390x 151/153 Installing : which-2.21-40.fc39.s390x 152/153 Installing : info-7.0.3-3.fc39.s390x 153/153 Running scriptlet: filesystem-3.18-6.fc39.s390x 153/153 Running scriptlet: ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch 153/153 Running scriptlet: authselect-libs-1.4.2-3.fc39.s390x 153/153 Running scriptlet: rpm-4.18.99-1.fc40.s390x 153/153 Running scriptlet: info-7.0.3-3.fc39.s390x 153/153 Verifying : cracklib-2.9.11-2.fc40.s390x 1/153 Verifying : curl-8.3.0-1.fc40.s390x 2/153 Verifying : elfutils-0.189-6.fc40.s390x 3/153 Verifying : elfutils-debuginfod-client-0.189-6.fc40.s390x 4/153 Verifying : elfutils-default-yama-scope-0.189-6.fc40.noarch 5/153 Verifying : elfutils-libelf-0.189-6.fc40.s390x 6/153 Verifying : elfutils-libs-0.189-6.fc40.s390x 7/153 Verifying : file-5.45-1.fc40.s390x 8/153 Verifying : file-libs-5.45-1.fc40.s390x 9/153 Verifying : glibc-2.38.9000-8.fc40.s390x 10/153 Verifying : glibc-common-2.38.9000-8.fc40.s390x 11/153 Verifying : glibc-gconv-extra-2.38.9000-8.fc40.s390x 12/153 Verifying : glibc-minimal-langpack-2.38.9000-8.fc40.s390x 13/153 Verifying : libarchive-3.7.2-1.fc40.s390x 14/153 Verifying : libblkid-2.39.2-1.fc40.s390x 15/153 Verifying : libcurl-8.3.0-1.fc40.s390x 16/153 Verifying : libdb-5.3.28-58.fc40.s390x 17/153 Verifying : libfdisk-2.39.2-1.fc40.s390x 18/153 Verifying : libgcc-13.2.1-1.fc40.s390x 19/153 Verifying : libgomp-13.2.1-1.fc40.s390x 20/153 Verifying : libmount-2.39.2-1.fc40.s390x 21/153 Verifying : libnghttp2-1.56.0-1.fc40.s390x 22/153 Verifying : libsmartcols-2.39.2-1.fc40.s390x 23/153 Verifying : libstdc++-13.2.1-1.fc40.s390x 24/153 Verifying : libuuid-2.39.2-1.fc40.s390x 25/153 Verifying : libxml2-2.11.5-1.fc40.s390x 26/153 Verifying : libzstd-1.5.5-4.fc40.s390x 27/153 Verifying : openssl-libs-1:3.1.1-4.fc40.s390x 28/153 Verifying : redhat-rpm-config-270-1.fc40.noarch 29/153 Verifying : util-linux-2.39.2-1.fc40.s390x 30/153 Verifying : util-linux-core-2.39.2-1.fc40.s390x 31/153 Verifying : zlib-ng-compat-2.1.3-3.fc40.s390x 32/153 Verifying : zstd-1.5.5-4.fc40.s390x 33/153 Verifying : alternatives-1.25-1.fc39.s390x 34/153 Verifying : ansible-srpm-macros-1-11.fc39.noarch 35/153 Verifying : audit-libs-3.1.2-4.fc40.s390x 36/153 Verifying : authselect-1.4.2-3.fc39.s390x 37/153 Verifying : authselect-libs-1.4.2-3.fc39.s390x 38/153 Verifying : basesystem-11-18.fc39.noarch 39/153 Verifying : bash-5.2.15-5.fc39.s390x 40/153 Verifying : binutils-2.41-5.fc40.s390x 41/153 Verifying : binutils-gold-2.41-5.fc40.s390x 42/153 Verifying : bzip2-1.0.8-16.fc39.s390x 43/153 Verifying : bzip2-libs-1.0.8-16.fc39.s390x 44/153 Verifying : ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch 45/153 Verifying : coreutils-9.4-1.fc40.s390x 46/153 Verifying : coreutils-common-9.4-1.fc40.s390x 47/153 Verifying : cpio-2.14-4.fc39.s390x 48/153 Verifying : crypto-policies-20230731-1.git5ed06e0.fc39.noarc 49/153 Verifying : cyrus-sasl-lib-2.1.28-11.fc39.s390x 50/153 Verifying : debugedit-5.0-10.fc39.s390x 51/153 Verifying : diffutils-3.10-3.fc39.s390x 52/153 Verifying : dwz-0.15-3.fc39.s390x 53/153 Verifying : ed-1.19-4.fc39.s390x 54/153 Verifying : efi-srpm-macros-5-9.fc39.noarch 55/153 Verifying : fedora-gpg-keys-40-0.1.noarch 56/153 Verifying : fedora-release-40-0.7.noarch 57/153 Verifying : fedora-release-common-40-0.7.noarch 58/153 Verifying : fedora-release-identity-basic-40-0.7.noarch 59/153 Verifying : fedora-repos-40-0.1.noarch 60/153 Verifying : fedora-repos-rawhide-40-0.1.noarch 61/153 Verifying : filesystem-3.18-6.fc39.s390x 62/153 Verifying : findutils-1:4.9.0-6.fc40.s390x 63/153 Verifying : fonts-srpm-macros-1:2.0.5-12.fc39.noarch 64/153 Verifying : forge-srpm-macros-0.1.0-1.fc40.noarch 65/153 Verifying : fpc-srpm-macros-1.3-8.fc39.noarch 66/153 Verifying : gawk-5.2.2-2.fc39.s390x 67/153 Verifying : gdb-minimal-13.2-8.fc40.s390x 68/153 Verifying : gdbm-libs-1:1.23-4.fc39.s390x 69/153 Verifying : ghc-srpm-macros-1.6.1-2.fc39.noarch 70/153 Verifying : gmp-1:6.2.1-5.fc39.s390x 71/153 Verifying : gnat-srpm-macros-6-3.fc39.noarch 72/153 Verifying : go-srpm-macros-3.2.0-7.fc40.noarch 73/153 Verifying : grep-3.11-5.fc40.s390x 74/153 Verifying : gzip-1.12-6.fc39.s390x 75/153 Verifying : info-7.0.3-3.fc39.s390x 76/153 Verifying : jansson-2.13.1-7.fc39.s390x 77/153 Verifying : kernel-srpm-macros-1.0-20.fc39.noarch 78/153 Verifying : keyutils-libs-1.6.1-7.fc39.s390x 79/153 Verifying : krb5-libs-1.21.2-1.fc40.s390x 80/153 Verifying : libacl-2.3.1-9.fc40.s390x 81/153 Verifying : libattr-2.5.1-9.fc40.s390x 82/153 Verifying : libbrotli-1.1.0-1.fc40.s390x 83/153 Verifying : libcap-2.48-7.fc39.s390x 84/153 Verifying : libcap-ng-0.8.3-8.fc40.s390x 85/153 Verifying : libcom_err-1.47.0-2.fc39.s390x 86/153 Verifying : libeconf-0.5.2-1.fc40.s390x 87/153 Verifying : libevent-2.1.12-9.fc39.s390x 88/153 Verifying : libffi-3.4.4-4.fc39.s390x 89/153 Verifying : libidn2-2.3.4-3.fc39.s390x 90/153 Verifying : libnsl2-2.0.0-6.fc39.s390x 91/153 Verifying : libpkgconf-1.9.5-2.fc39.s390x 92/153 Verifying : libpsl-0.21.2-4.fc39.s390x 93/153 Verifying : libpwquality-1.4.5-6.fc39.s390x 94/153 Verifying : libselinux-3.5-5.fc39.s390x 95/153 Verifying : libsemanage-3.5-4.fc39.s390x 96/153 Verifying : libsepol-3.5-2.fc39.s390x 97/153 Verifying : libsigsegv-2.14-5.fc39.s390x 98/153 Verifying : libssh-0.10.5-2.fc39.s390x 99/153 Verifying : libssh-config-0.10.5-2.fc39.noarch 100/153 Verifying : libtasn1-4.19.0-3.fc39.s390x 101/153 Verifying : libtirpc-1.3.3-1.rc2.fc39.s390x 102/153 Verifying : libunistring-1.1-5.fc40.s390x 103/153 Verifying : libutempter-1.2.1-10.fc39.s390x 104/153 Verifying : libverto-0.3.2-6.fc39.s390x 105/153 Verifying : libxcrypt-4.4.36-2.fc39.s390x 106/153 Verifying : lua-libs-5.4.6-3.fc39.s390x 107/153 Verifying : lua-srpm-macros-1-9.fc39.noarch 108/153 Verifying : lz4-libs-1.9.4-4.fc39.s390x 109/153 Verifying : mpfr-4.2.0-3.fc39.s390x 110/153 Verifying : ncurses-base-6.4-7.20230520.fc40.noarch 111/153 Verifying : ncurses-libs-6.4-7.20230520.fc40.s390x 112/153 Verifying : ocaml-srpm-macros-8-2.fc39.noarch 113/153 Verifying : openblas-srpm-macros-2-14.fc39.noarch 114/153 Verifying : openldap-2.6.6-1.fc39.s390x 115/153 Verifying : p11-kit-0.25.0-2.fc39.s390x 116/153 Verifying : p11-kit-trust-0.25.0-2.fc39.s390x 117/153 Verifying : package-notes-srpm-macros-0.5-9.fc39.noarch 118/153 Verifying : pam-1.5.3-2.fc39.s390x 119/153 Verifying : pam-libs-1.5.3-2.fc39.s390x 120/153 Verifying : patch-2.7.6-22.fc39.s390x 121/153 Verifying : pcre2-10.42-1.fc39.2.s390x 122/153 Verifying : pcre2-syntax-10.42-1.fc39.2.noarch 123/153 Verifying : perl-srpm-macros-1-51.fc39.noarch 124/153 Verifying : pkgconf-1.9.5-2.fc39.s390x 125/153 Verifying : pkgconf-m4-1.9.5-2.fc39.noarch 126/153 Verifying : pkgconf-pkg-config-1.9.5-2.fc39.s390x 127/153 Verifying : popt-1.19-3.fc39.s390x 128/153 Verifying : publicsuffix-list-dafsa-20230812-1.fc40.noarch 129/153 Verifying : pyproject-srpm-macros-1.9.0-2.fc39.noarch 130/153 Verifying : python-srpm-macros-3.12-4.fc40.noarch 131/153 Verifying : qt5-srpm-macros-5.15.10-2.fc39.noarch 132/153 Verifying : qt6-srpm-macros-6.5.2-2.fc39.noarch 133/153 Verifying : readline-8.2-4.fc39.s390x 134/153 Verifying : rpm-4.18.99-1.fc40.s390x 135/153 Verifying : rpm-build-4.18.99-1.fc40.s390x 136/153 Verifying : rpm-build-libs-4.18.99-1.fc40.s390x 137/153 Verifying : rpm-libs-4.18.99-1.fc40.s390x 138/153 Verifying : rpm-sequoia-1.5.0-1.fc40.s390x 139/153 Verifying : rust-srpm-macros-24-5.fc40.noarch 140/153 Verifying : sed-4.8-14.fc39.s390x 141/153 Verifying : setup-2.14.4-1.fc39.noarch 142/153 Verifying : shadow-utils-2:4.14.0-1.fc40.s390x 143/153 Verifying : sqlite-libs-3.43.1-1.fc40.s390x 144/153 Verifying : systemd-libs-254.1-2.fc40.s390x 145/153 Verifying : tar-2:1.35-2.fc40.s390x 146/153 Verifying : tzdata-2023c-3.fc40.noarch 147/153 Verifying : unzip-6.0-62.fc39.s390x 148/153 Verifying : which-2.21-40.fc39.s390x 149/153 Verifying : xxhash-libs-0.8.2-1.fc39.s390x 150/153 Verifying : xz-5.4.4-1.fc39.s390x 151/153 Verifying : xz-libs-5.4.4-1.fc39.s390x 152/153 Verifying : zip-3.0-38.fc39.s390x 153/153 Installed: alternatives-1.25-1.fc39.s390x ansible-srpm-macros-1-11.fc39.noarch audit-libs-3.1.2-4.fc40.s390x authselect-1.4.2-3.fc39.s390x authselect-libs-1.4.2-3.fc39.s390x basesystem-11-18.fc39.noarch bash-5.2.15-5.fc39.s390x binutils-2.41-5.fc40.s390x binutils-gold-2.41-5.fc40.s390x bzip2-1.0.8-16.fc39.s390x bzip2-libs-1.0.8-16.fc39.s390x ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch coreutils-9.4-1.fc40.s390x coreutils-common-9.4-1.fc40.s390x cpio-2.14-4.fc39.s390x cracklib-2.9.11-2.fc40.s390x crypto-policies-20230731-1.git5ed06e0.fc39.noarch curl-8.3.0-1.fc40.s390x cyrus-sasl-lib-2.1.28-11.fc39.s390x debugedit-5.0-10.fc39.s390x diffutils-3.10-3.fc39.s390x dwz-0.15-3.fc39.s390x ed-1.19-4.fc39.s390x efi-srpm-macros-5-9.fc39.noarch elfutils-0.189-6.fc40.s390x elfutils-debuginfod-client-0.189-6.fc40.s390x elfutils-default-yama-scope-0.189-6.fc40.noarch elfutils-libelf-0.189-6.fc40.s390x elfutils-libs-0.189-6.fc40.s390x fedora-gpg-keys-40-0.1.noarch fedora-release-40-0.7.noarch fedora-release-common-40-0.7.noarch fedora-release-identity-basic-40-0.7.noarch fedora-repos-40-0.1.noarch fedora-repos-rawhide-40-0.1.noarch file-5.45-1.fc40.s390x file-libs-5.45-1.fc40.s390x filesystem-3.18-6.fc39.s390x findutils-1:4.9.0-6.fc40.s390x fonts-srpm-macros-1:2.0.5-12.fc39.noarch forge-srpm-macros-0.1.0-1.fc40.noarch fpc-srpm-macros-1.3-8.fc39.noarch gawk-5.2.2-2.fc39.s390x gdb-minimal-13.2-8.fc40.s390x gdbm-libs-1:1.23-4.fc39.s390x ghc-srpm-macros-1.6.1-2.fc39.noarch glibc-2.38.9000-8.fc40.s390x glibc-common-2.38.9000-8.fc40.s390x glibc-gconv-extra-2.38.9000-8.fc40.s390x glibc-minimal-langpack-2.38.9000-8.fc40.s390x gmp-1:6.2.1-5.fc39.s390x gnat-srpm-macros-6-3.fc39.noarch go-srpm-macros-3.2.0-7.fc40.noarch grep-3.11-5.fc40.s390x gzip-1.12-6.fc39.s390x info-7.0.3-3.fc39.s390x jansson-2.13.1-7.fc39.s390x kernel-srpm-macros-1.0-20.fc39.noarch keyutils-libs-1.6.1-7.fc39.s390x krb5-libs-1.21.2-1.fc40.s390x libacl-2.3.1-9.fc40.s390x libarchive-3.7.2-1.fc40.s390x libattr-2.5.1-9.fc40.s390x libblkid-2.39.2-1.fc40.s390x libbrotli-1.1.0-1.fc40.s390x libcap-2.48-7.fc39.s390x libcap-ng-0.8.3-8.fc40.s390x libcom_err-1.47.0-2.fc39.s390x libcurl-8.3.0-1.fc40.s390x libdb-5.3.28-58.fc40.s390x libeconf-0.5.2-1.fc40.s390x libevent-2.1.12-9.fc39.s390x libfdisk-2.39.2-1.fc40.s390x libffi-3.4.4-4.fc39.s390x libgcc-13.2.1-1.fc40.s390x libgomp-13.2.1-1.fc40.s390x libidn2-2.3.4-3.fc39.s390x libmount-2.39.2-1.fc40.s390x libnghttp2-1.56.0-1.fc40.s390x libnsl2-2.0.0-6.fc39.s390x libpkgconf-1.9.5-2.fc39.s390x libpsl-0.21.2-4.fc39.s390x libpwquality-1.4.5-6.fc39.s390x libselinux-3.5-5.fc39.s390x libsemanage-3.5-4.fc39.s390x libsepol-3.5-2.fc39.s390x libsigsegv-2.14-5.fc39.s390x libsmartcols-2.39.2-1.fc40.s390x libssh-0.10.5-2.fc39.s390x libssh-config-0.10.5-2.fc39.noarch libstdc++-13.2.1-1.fc40.s390x libtasn1-4.19.0-3.fc39.s390x libtirpc-1.3.3-1.rc2.fc39.s390x libunistring-1.1-5.fc40.s390x libutempter-1.2.1-10.fc39.s390x libuuid-2.39.2-1.fc40.s390x libverto-0.3.2-6.fc39.s390x libxcrypt-4.4.36-2.fc39.s390x libxml2-2.11.5-1.fc40.s390x libzstd-1.5.5-4.fc40.s390x lua-libs-5.4.6-3.fc39.s390x lua-srpm-macros-1-9.fc39.noarch lz4-libs-1.9.4-4.fc39.s390x mpfr-4.2.0-3.fc39.s390x ncurses-base-6.4-7.20230520.fc40.noarch ncurses-libs-6.4-7.20230520.fc40.s390x ocaml-srpm-macros-8-2.fc39.noarch openblas-srpm-macros-2-14.fc39.noarch openldap-2.6.6-1.fc39.s390x openssl-libs-1:3.1.1-4.fc40.s390x p11-kit-0.25.0-2.fc39.s390x p11-kit-trust-0.25.0-2.fc39.s390x package-notes-srpm-macros-0.5-9.fc39.noarch pam-1.5.3-2.fc39.s390x pam-libs-1.5.3-2.fc39.s390x patch-2.7.6-22.fc39.s390x pcre2-10.42-1.fc39.2.s390x pcre2-syntax-10.42-1.fc39.2.noarch perl-srpm-macros-1-51.fc39.noarch pkgconf-1.9.5-2.fc39.s390x pkgconf-m4-1.9.5-2.fc39.noarch pkgconf-pkg-config-1.9.5-2.fc39.s390x popt-1.19-3.fc39.s390x publicsuffix-list-dafsa-20230812-1.fc40.noarch pyproject-srpm-macros-1.9.0-2.fc39.noarch python-srpm-macros-3.12-4.fc40.noarch qt5-srpm-macros-5.15.10-2.fc39.noarch qt6-srpm-macros-6.5.2-2.fc39.noarch readline-8.2-4.fc39.s390x redhat-rpm-config-270-1.fc40.noarch rpm-4.18.99-1.fc40.s390x rpm-build-4.18.99-1.fc40.s390x rpm-build-libs-4.18.99-1.fc40.s390x rpm-libs-4.18.99-1.fc40.s390x rpm-sequoia-1.5.0-1.fc40.s390x rust-srpm-macros-24-5.fc40.noarch sed-4.8-14.fc39.s390x setup-2.14.4-1.fc39.noarch shadow-utils-2:4.14.0-1.fc40.s390x sqlite-libs-3.43.1-1.fc40.s390x systemd-libs-254.1-2.fc40.s390x tar-2:1.35-2.fc40.s390x tzdata-2023c-3.fc40.noarch unzip-6.0-62.fc39.s390x util-linux-2.39.2-1.fc40.s390x util-linux-core-2.39.2-1.fc40.s390x which-2.21-40.fc39.s390x xxhash-libs-0.8.2-1.fc39.s390x xz-5.4.4-1.fc39.s390x xz-libs-5.4.4-1.fc39.s390x zip-3.0-38.fc39.s390x zlib-ng-compat-2.1.3-3.fc40.s390x zstd-1.5.5-4.fc40.s390x Complete! Finish: installing minimal buildroot with dnf Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: alternatives-1.25-1.fc39.s390x ansible-srpm-macros-1-11.fc39.noarch audit-libs-3.1.2-4.fc40.s390x authselect-1.4.2-3.fc39.s390x authselect-libs-1.4.2-3.fc39.s390x basesystem-11-18.fc39.noarch bash-5.2.15-5.fc39.s390x binutils-2.41-5.fc40.s390x binutils-gold-2.41-5.fc40.s390x bzip2-1.0.8-16.fc39.s390x bzip2-libs-1.0.8-16.fc39.s390x ca-certificates-2023.2.60_v7.0.306-3.fc40.noarch coreutils-9.4-1.fc40.s390x coreutils-common-9.4-1.fc40.s390x cpio-2.14-4.fc39.s390x cracklib-2.9.11-2.fc40.s390x crypto-policies-20230731-1.git5ed06e0.fc39.noarch curl-8.3.0-1.fc40.s390x cyrus-sasl-lib-2.1.28-11.fc39.s390x debugedit-5.0-10.fc39.s390x diffutils-3.10-3.fc39.s390x dwz-0.15-3.fc39.s390x ed-1.19-4.fc39.s390x efi-srpm-macros-5-9.fc39.noarch elfutils-0.189-6.fc40.s390x elfutils-debuginfod-client-0.189-6.fc40.s390x elfutils-default-yama-scope-0.189-6.fc40.noarch elfutils-libelf-0.189-6.fc40.s390x elfutils-libs-0.189-6.fc40.s390x fedora-gpg-keys-40-0.1.noarch fedora-release-40-0.7.noarch fedora-release-common-40-0.7.noarch fedora-release-identity-basic-40-0.7.noarch fedora-repos-40-0.1.noarch fedora-repos-rawhide-40-0.1.noarch file-5.45-1.fc40.s390x file-libs-5.45-1.fc40.s390x filesystem-3.18-6.fc39.s390x findutils-4.9.0-6.fc40.s390x fonts-srpm-macros-2.0.5-12.fc39.noarch forge-srpm-macros-0.1.0-1.fc40.noarch fpc-srpm-macros-1.3-8.fc39.noarch gawk-5.2.2-2.fc39.s390x gdb-minimal-13.2-8.fc40.s390x gdbm-libs-1.23-4.fc39.s390x ghc-srpm-macros-1.6.1-2.fc39.noarch glibc-2.38.9000-8.fc40.s390x glibc-common-2.38.9000-8.fc40.s390x glibc-gconv-extra-2.38.9000-8.fc40.s390x glibc-minimal-langpack-2.38.9000-8.fc40.s390x gmp-6.2.1-5.fc39.s390x gnat-srpm-macros-6-3.fc39.noarch go-srpm-macros-3.2.0-7.fc40.noarch gpg-pubkey-18b8e74c-62f2920f gpg-pubkey-a15b79cc-63d04c2c grep-3.11-5.fc40.s390x gzip-1.12-6.fc39.s390x info-7.0.3-3.fc39.s390x jansson-2.13.1-7.fc39.s390x kernel-srpm-macros-1.0-20.fc39.noarch keyutils-libs-1.6.1-7.fc39.s390x krb5-libs-1.21.2-1.fc40.s390x libacl-2.3.1-9.fc40.s390x libarchive-3.7.2-1.fc40.s390x libattr-2.5.1-9.fc40.s390x libblkid-2.39.2-1.fc40.s390x libbrotli-1.1.0-1.fc40.s390x libcap-2.48-7.fc39.s390x libcap-ng-0.8.3-8.fc40.s390x libcom_err-1.47.0-2.fc39.s390x libcurl-8.3.0-1.fc40.s390x libdb-5.3.28-58.fc40.s390x libeconf-0.5.2-1.fc40.s390x libevent-2.1.12-9.fc39.s390x libfdisk-2.39.2-1.fc40.s390x libffi-3.4.4-4.fc39.s390x libgcc-13.2.1-1.fc40.s390x libgomp-13.2.1-1.fc40.s390x libidn2-2.3.4-3.fc39.s390x libmount-2.39.2-1.fc40.s390x libnghttp2-1.56.0-1.fc40.s390x libnsl2-2.0.0-6.fc39.s390x libpkgconf-1.9.5-2.fc39.s390x libpsl-0.21.2-4.fc39.s390x libpwquality-1.4.5-6.fc39.s390x libselinux-3.5-5.fc39.s390x libsemanage-3.5-4.fc39.s390x libsepol-3.5-2.fc39.s390x libsigsegv-2.14-5.fc39.s390x libsmartcols-2.39.2-1.fc40.s390x libssh-0.10.5-2.fc39.s390x libssh-config-0.10.5-2.fc39.noarch libstdc++-13.2.1-1.fc40.s390x libtasn1-4.19.0-3.fc39.s390x libtirpc-1.3.3-1.rc2.fc39.s390x libunistring-1.1-5.fc40.s390x libutempter-1.2.1-10.fc39.s390x libuuid-2.39.2-1.fc40.s390x libverto-0.3.2-6.fc39.s390x libxcrypt-4.4.36-2.fc39.s390x libxml2-2.11.5-1.fc40.s390x libzstd-1.5.5-4.fc40.s390x lua-libs-5.4.6-3.fc39.s390x lua-srpm-macros-1-9.fc39.noarch lz4-libs-1.9.4-4.fc39.s390x mpfr-4.2.0-3.fc39.s390x ncurses-base-6.4-7.20230520.fc40.noarch ncurses-libs-6.4-7.20230520.fc40.s390x ocaml-srpm-macros-8-2.fc39.noarch openblas-srpm-macros-2-14.fc39.noarch openldap-2.6.6-1.fc39.s390x openssl-libs-3.1.1-4.fc40.s390x p11-kit-0.25.0-2.fc39.s390x p11-kit-trust-0.25.0-2.fc39.s390x package-notes-srpm-macros-0.5-9.fc39.noarch pam-1.5.3-2.fc39.s390x pam-libs-1.5.3-2.fc39.s390x patch-2.7.6-22.fc39.s390x pcre2-10.42-1.fc39.2.s390x pcre2-syntax-10.42-1.fc39.2.noarch perl-srpm-macros-1-51.fc39.noarch pkgconf-1.9.5-2.fc39.s390x pkgconf-m4-1.9.5-2.fc39.noarch pkgconf-pkg-config-1.9.5-2.fc39.s390x popt-1.19-3.fc39.s390x publicsuffix-list-dafsa-20230812-1.fc40.noarch pyproject-srpm-macros-1.9.0-2.fc39.noarch python-srpm-macros-3.12-4.fc40.noarch qt5-srpm-macros-5.15.10-2.fc39.noarch qt6-srpm-macros-6.5.2-2.fc39.noarch readline-8.2-4.fc39.s390x redhat-rpm-config-270-1.fc40.noarch rpm-4.18.99-1.fc40.s390x rpm-build-4.18.99-1.fc40.s390x rpm-build-libs-4.18.99-1.fc40.s390x rpm-libs-4.18.99-1.fc40.s390x rpm-sequoia-1.5.0-1.fc40.s390x rust-srpm-macros-24-5.fc40.noarch sed-4.8-14.fc39.s390x setup-2.14.4-1.fc39.noarch shadow-utils-4.14.0-1.fc40.s390x sqlite-libs-3.43.1-1.fc40.s390x systemd-libs-254.1-2.fc40.s390x tar-1.35-2.fc40.s390x tzdata-2023c-3.fc40.noarch unzip-6.0-62.fc39.s390x util-linux-2.39.2-1.fc40.s390x util-linux-core-2.39.2-1.fc40.s390x which-2.21-40.fc39.s390x xxhash-libs-0.8.2-1.fc39.s390x xz-5.4.4-1.fc39.s390x xz-libs-5.4.4-1.fc39.s390x zip-3.0-38.fc39.s390x zlib-ng-compat-2.1.3-3.fc40.s390x zstd-1.5.5-4.fc40.s390x Start: buildsrpm Start: rpmbuild -bs warning: %patchN is deprecated (3 usages found), use %patch N (or %patch -P N) Building target platforms: s390x Building for target s390x setting SOURCE_DATE_EPOCH=1689724800 Wrote: /builddir/build/SRPMS/apbs-3.0.0-20.fc40.src.rpm RPM build warnings: %patchN is deprecated (3 usages found), use %patch N (or %patch -P N) Finish: rpmbuild -bs INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root/var/log/dnf.rpm.log /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root/var/log/dnf.librepo.log /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root/var/log/dnf.log Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-b0qpjcfh/apbs/apbs.spec) Config(child) 1 minutes 14 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot INFO: Start(/var/lib/copr-rpmbuild/results/apbs-3.0.0-20.fc40.src.rpm) Config(fedora-rawhide-s390x) Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-s390x-bootstrap-1695066821.691853/root. INFO: reusing tmpfs at /var/lib/mock/fedora-rawhide-s390x-bootstrap-1695066821.691853/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root. INFO: calling preinit hooks INFO: enabled root cache Start: unpacking root cache Finish: unpacking root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin Finish: chroot init INFO: Buildroot is handled by package management downloaded with a bootstrap image: rpm-4.18.99-1.fc40.s390x rpm-sequoia-1.5.0-1.fc40.s390x python3-dnf-4.16.2-4.fc40.noarch python3-dnf-plugins-core-4.4.2-1.fc39.noarch yum-4.16.2-4.fc40.noarch Start: build phase for apbs-3.0.0-20.fc40.src.rpm Start: build setup for apbs-3.0.0-20.fc40.src.rpm warning: %patchN is deprecated (3 usages found), use %patch N (or %patch -P N) Building target platforms: s390x Building for target s390x setting SOURCE_DATE_EPOCH=1689724800 Wrote: /builddir/build/SRPMS/apbs-3.0.0-20.fc40.src.rpm RPM build warnings: %patchN is deprecated (3 usages found), use %patch N (or %patch -P N) No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 5.0 kB/s | 1.5 kB 00:00 fedora 1.2 kB/s | 6.1 kB 00:05 Dependencies resolved. ============================================================================================= Package Arch Version Repo Size ============================================================================================= Installing: chrpath s390x 0.16-21.fc39 fedora 30 k cmake s390x 3.27.4-8.fc40 fedora 7.8 M doxygen s390x 2:1.9.8-1.fc40 copr_base 5.6 M gcc-c++ s390x 13.2.1-1.fc40 copr_base 11 M graphviz s390x 8.1.0-6.fc40 copr_base 5.1 M make s390x 1:4.4.1-2.fc39 fedora 605 k maloc-devel s390x 1.5-28.fc39 fedora 1.4 M python3-devel s390x 3.12.0~rc2-1.fc40 fedora 311 k python3-numpy s390x 1:1.24.4-2.fc39 fedora 7.6 M python3-sphinx noarch 1:7.1.2-1.fc40 fedora 2.6 M swig s390x 4.1.1-9.fc39 fedora 1.6 M texlive-adjustbox noarch 11:svn64967-69.fc39 fedora 31 k texlive-collection-latexrecommended noarch 11:svn65512-69.fc39 fedora 12 k texlive-etoc noarch 11:svn66299-69.fc39 fedora 29 k texlive-hanging noarch 11:svn15878.1.2b-69.fc39 fedora 19 k texlive-multirow noarch 11:svn58396-69.fc39 fedora 17 k texlive-newunicodechar noarch 11:svn47382-69.fc39 fedora 19 k texlive-sectsty noarch 11:svn15878.2.0.2-69.fc39 fedora 19 k texlive-stackengine noarch 11:svn60019-69.fc39 fedora 22 k texlive-tocloft noarch 11:svn53364-69.fc39 fedora 23 k texlive-ulem noarch 11:svn53365-69.fc39 fedora 17 k texlive-wasy noarch 11:svn53533-69.fc39 fedora 44 k texlive-wasysym noarch 11:svn54080-69.fc39 fedora 18 k zlib-ng-compat-devel s390x 2.1.3-3.fc40 copr_base 34 k Installing dependencies: abattis-cantarell-vf-fonts noarch 0.301-10.fc39 fedora 121 k adobe-mappings-cmap noarch 20230622-1.fc39 fedora 2.1 M adobe-mappings-cmap-deprecated noarch 20230622-1.fc39 fedora 113 k adobe-mappings-pdf noarch 20190401-5.fc39 fedora 698 k annobin-docs noarch 12.26-1.fc40 fedora 94 k annobin-plugin-gcc s390x 12.26-1.fc40 fedora 958 k avahi-libs s390x 0.8-24.fc39 fedora 67 k biber noarch 2.19-3.fc39 fedora 292 k cairo s390x 1.17.8-5.fc40 copr_base 714 k cairo-gobject s390x 1.17.8-5.fc40 copr_base 18 k clang-libs s390x 17.0.0~rc4-1.fc40 fedora 30 M clang-resource-filesystem s390x 17.0.0~rc4-1.fc40 fedora 13 k cmake-data noarch 3.27.4-8.fc40 fedora 2.2 M cmake-filesystem s390x 3.27.4-8.fc40 fedora 19 k cmake-rpm-macros noarch 3.27.4-8.fc40 fedora 18 k cpp s390x 13.2.1-1.fc40 copr_base 8.8 M crypto-policies-scripts noarch 20230731-1.git5ed06e0.fc39 fedora 115 k cups-libs s390x 1:2.4.6-6.fc40 copr_base 279 k dbus-libs s390x 1:1.14.10-1.fc40 fedora 159 k default-fonts-core-sans noarch 4.0-9.fc40 fedora 32 k emacs-filesystem noarch 1:29.1-1.fc39 fedora 8.4 k expat s390x 2.5.0-3.fc39 fedora 114 k flexiblas s390x 3.3.1-5.fc39 fedora 33 k flexiblas-netlib s390x 3.3.1-5.fc39 fedora 3.6 M flexiblas-openblas-openmp s390x 3.3.1-5.fc39 fedora 17 k fontconfig s390x 2.14.2-5.fc40 fedora 305 k fonts-filesystem noarch 1:2.0.5-12.fc39 fedora 8.2 k freetype s390x 2.13.1-2.fc40 copr_base 442 k fribidi s390x 1.0.13-2.fc39 fedora 93 k gc s390x 8.2.2-4.fc39 fedora 114 k gcc s390x 13.2.1-1.fc40 copr_base 28 M gcc-plugin-annobin s390x 13.2.1-1.fc40 copr_base 46 k gd s390x 2.3.3-12.fc39 fedora 152 k gdk-pixbuf2 s390x 2.42.10-5.fc39 fedora 484 k ghostscript s390x 10.01.2-3.fc39 fedora 37 k ghostscript-tools-fonts s390x 10.01.2-3.fc39 fedora 12 k ghostscript-tools-printing s390x 10.01.2-3.fc39 fedora 13 k glib2 s390x 2.78.0-2.fc40 fedora 2.8 M glibc-devel s390x 2.38.9000-8.fc40 copr_base 96 k glibc-headers-s390 noarch 2.38.9000-8.fc40 copr_base 489 k gnutls s390x 3.8.1-1.fc40 fedora 1.1 M google-droid-sans-fonts noarch 20200215-17.fc40 fedora 2.7 M google-noto-fonts-common noarch 20230801-3.fc40 fedora 17 k google-noto-sans-vf-fonts noarch 20230801-3.fc40 fedora 583 k graphite2 s390x 1.3.14-12.fc39 fedora 100 k groff-base s390x 1.23.0-2.fc39 fedora 1.2 M gts s390x 0.7.6-46.20121130.fc39 fedora 242 k guile22 s390x 2.2.7-9.fc39 fedora 6.5 M harfbuzz s390x 8.2.0-1.fc40 fedora 1.0 M highway s390x 1.0.7-1.fc40 fedora 283 k jbig2dec-libs s390x 0.19-10.fc39 fedora 77 k jbigkit-libs s390x 2.1-26.fc39 fedora 55 k jsoncpp s390x 1.9.5-5.fc39 fedora 96 k kernel-headers s390x 6.6.0-0.rc1.git0.1.fc40 fedora 1.5 M lasi s390x 1.1.3-11.fc39 fedora 54 k lcms2 s390x 2.15-2.fc40 copr_base 185 k libICE s390x 1.0.10-12.fc40 fedora 73 k libSM s390x 1.2.3-14.fc40 fedora 43 k libX11 s390x 1.8.6-3.fc40 fedora 668 k libX11-common noarch 1.8.6-3.fc40 fedora 175 k libXau s390x 1.0.11-4.fc40 fedora 31 k libXaw s390x 1.0.14-6.fc40 fedora 205 k libXext s390x 1.3.5-3.fc39 fedora 40 k libXft s390x 2.3.8-4.fc40 fedora 76 k libXi s390x 1.8.1-3.fc40 fedora 42 k libXmu s390x 1.1.4-4.fc40 fedora 81 k libXpm s390x 3.5.15-5.fc40 fedora 67 k libXrender s390x 0.9.11-4.fc40 fedora 28 k libXt s390x 1.2.1-6.fc40 fedora 190 k libaom s390x 3.7.0-1.fc40 fedora 1.4 M libasan s390x 13.2.1-1.fc40 copr_base 507 k libatomic s390x 13.2.1-1.fc40 copr_base 34 k libavif s390x 0.11.1-11.fc39 fedora 89 k libb2 s390x 0.98.1-9.fc39 fedora 27 k libdatrie s390x 0.2.13-7.fc39 fedora 33 k libdav1d s390x 1.2.1-2.fc39 fedora 323 k libedit s390x 3.1-48.20230828cvs.fc40 fedora 116 k libgfortran s390x 13.2.1-1.fc40 copr_base 576 k libgs s390x 10.01.2-3.fc39 fedora 3.7 M libicu s390x 73.2-2.fc39 fedora 11 M libijs s390x 0.35-19.fc39 fedora 29 k libimagequant s390x 4.0.1-5.fc39 fedora 343 k libjpeg-turbo s390x 2.1.4-3.fc39 fedora 178 k libjxl s390x 1:0.8.2-3.fc40 copr_base 911 k liblerc s390x 4.0.0-4.fc39 fedora 112 k libmpc s390x 1.3.1-3.fc39 fedora 73 k libpaper s390x 1:2.1.1-1.fc39 fedora 27 k libpng s390x 2:1.6.37-15.fc39 fedora 130 k librsvg2 s390x 2.56.92-1.fc40 fedora 1.7 M libstdc++-devel s390x 13.2.1-1.fc40 copr_base 2.5 M libthai s390x 0.1.29-6.fc39 fedora 215 k libtiff s390x 4.4.0-8.fc40 copr_base 221 k libtool-ltdl s390x 2.4.7-8.fc40 fedora 37 k libubsan s390x 13.2.1-1.fc40 copr_base 219 k libuv s390x 1:1.46.0-2.fc39 fedora 161 k libwebp s390x 1.3.1-3.fc40 fedora 256 k libxcb s390x 1.13.1-12.fc39 fedora 244 k libxcrypt-devel s390x 4.4.36-2.fc39 fedora 30 k libxslt s390x 1.1.38-3.fc39 fedora 188 k llvm-libs s390x 17.0.0~rc4-1.fc40 copr_base 36 M mailcap noarch 2.1.54-2.fc39 fedora 34 k maloc s390x 1.5-28.fc39 fedora 111 k mpdecimal s390x 2.5.1-7.fc39 fedora 100 k ncurses s390x 6.4-7.20230520.fc40 fedora 424 k netpbm s390x 11.02.00-2.fc39 fedora 191 k nettle s390x 3.9.1-2.fc39 fedora 456 k nspr s390x 4.35.0-13.fc40 copr_base 147 k nss s390x 3.93.0-2.fc40 copr_base 709 k nss-softokn s390x 3.93.0-2.fc40 copr_base 1.0 M nss-softokn-freebl s390x 3.93.0-2.fc40 copr_base 327 k nss-sysinit s390x 3.93.0-2.fc40 copr_base 19 k nss-util s390x 3.93.0-2.fc40 copr_base 91 k openblas s390x 0.3.21-6.fc39 fedora 35 k openblas-openmp s390x 0.3.21-6.fc39 fedora 4.3 M openjpeg2 s390x 2.5.0-4.fc39 fedora 197 k pango s390x 1.51.0-1.fc40 fedora 354 k perl-Authen-SASL noarch 2.1700-1.fc40 fedora 62 k perl-AutoLoader noarch 5.74-500.fc39 fedora 21 k perl-B s390x 1.88-500.fc39 fedora 178 k perl-B-Hooks-EndOfScope noarch 0.26-7.fc39 fedora 43 k perl-Business-ISBN noarch 3.008-2.fc39 fedora 32 k perl-Business-ISBN-Data noarch 20230907.001-1.fc40 fedora 38 k perl-Business-ISMN noarch 1.203-2.fc39 fedora 25 k perl-Business-ISSN noarch 1.005-8.fc39 fedora 18 k perl-Carp noarch 1.54-500.fc39 fedora 29 k perl-Class-Accessor noarch 0.51-18.fc39 fedora 28 k perl-Class-Data-Inheritable noarch 0.09-6.fc39 fedora 13 k perl-Class-Inspector noarch 1.36-14.fc39 fedora 30 k perl-Class-Method-Modifiers noarch 2.15-2.fc39 fedora 50 k perl-Class-Singleton noarch 1.6-9.fc39 fedora 25 k perl-Class-Struct noarch 0.68-500.fc39 fedora 22 k perl-Clone s390x 0.46-4.fc39 fedora 22 k perl-Compress-Raw-Bzip2 s390x 2.206-1.fc39 fedora 35 k perl-Compress-Raw-Zlib s390x 2.206-1.fc40 copr_base 65 k perl-Convert-ASN1 noarch 0.34-1.fc40 fedora 59 k perl-Data-Compare noarch 1.29-2.fc39 fedora 34 k perl-Data-Dump noarch 1.25-8.fc39 fedora 32 k perl-Data-Dumper s390x 2.188-501.fc39 fedora 57 k perl-Data-OptList noarch 0.114-2.fc39 fedora 27 k perl-Data-Uniqid noarch 0.12-31.fc39 fedora 12 k perl-Date-ISO8601 noarch 0.005-18.fc39 fedora 19 k perl-Date-Manip noarch 6.92-2.fc39 fedora 1.1 M perl-DateTime s390x 2:1.59-5.fc39 fedora 132 k perl-DateTime-Calendar-Julian noarch 0.107-5.fc39 fedora 23 k perl-DateTime-Format-Builder noarch 0.8300-11.fc39 fedora 93 k perl-DateTime-Format-Strptime noarch 1:1.79-8.fc39 fedora 41 k perl-DateTime-Locale noarch 1.39-2.fc39 fedora 3.7 M perl-DateTime-TimeZone noarch 2.60-4.fc39 fedora 397 k perl-DateTime-TimeZone-SystemV noarch 0.010-19.fc39 fedora 22 k perl-DateTime-TimeZone-Tzfile noarch 0.011-19.fc39 fedora 19 k perl-Devel-CallChecker s390x 0.009-3.fc39 fedora 24 k perl-Devel-Caller s390x 2.07-3.fc39 fedora 19 k perl-Devel-GlobalDestruction noarch 0.14-22.fc39 fedora 17 k perl-Devel-LexAlias s390x 0.05-34.fc39 fedora 16 k perl-Devel-StackTrace noarch 1:2.04-16.fc39 fedora 30 k perl-Digest noarch 1.20-500.fc39 fedora 25 k perl-Digest-HMAC 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11:svn56596-69.fc39 fedora 17 k texlive-auxhook noarch 11:svn53173-69.fc39 fedora 295 k texlive-avantgar noarch 11:svn61983-69.fc39 fedora 322 k texlive-babel noarch 11:svn65823-69.fc39 fedora 480 k texlive-babel-english noarch 11:svn44495-69.fc39 fedora 21 k texlive-babelbib noarch 11:svn57349-69.fc39 fedora 54 k texlive-base s390x 11:20230311-77.fc39 fedora 2.6 M texlive-beamer noarch 11:svn65984-69.fc39 fedora 228 k texlive-bera noarch 11:svn20031.0-69.fc39 fedora 356 k texlive-beton noarch 11:svn15878.0-69.fc39 fedora 16 k texlive-biblatex noarch 11:svn66403-69.fc39 fedora 305 k texlive-bibtex s390x 11:svn66186-77.fc39 fedora 458 k texlive-bidi noarch 11:svn65572-69.fc39 fedora 203 k texlive-bigintcalc noarch 11:svn53172-69.fc39 fedora 466 k texlive-bitset noarch 11:svn53837-69.fc39 fedora 620 k texlive-bookman noarch 11:svn61719-69.fc39 fedora 368 k texlive-bookmark noarch 11:svn56885-69.fc39 fedora 480 k texlive-booktabs noarch 11:svn53402-69.fc39 fedora 18 k texlive-breakurl noarch 11:svn29901.1.40-69.fc39 fedora 17 k texlive-breqn noarch 11:svn60881-69.fc39 fedora 43 k texlive-caption noarch 11:svn66580-69.fc39 fedora 87 k texlive-carlisle noarch 11:svn59577-69.fc39 fedora 23 k texlive-catchfile noarch 11:svn53084-69.fc39 fedora 307 k texlive-changepage noarch 11:svn15878.1.0c-69.fc39 fedora 20 k texlive-charter noarch 11:svn15878.0-69.fc39 fedora 206 k texlive-cite noarch 11:svn36428.5.5-69.fc39 fedora 31 k texlive-cm noarch 11:svn57963-69.fc39 fedora 322 k texlive-cm-super noarch 11:svn15878.0-69.fc39 fedora 62 M texlive-cmap noarch 11:svn57640-69.fc39 fedora 21 k texlive-collectbox noarch 11:svn64967-69.fc39 fedora 20 k texlive-collection-basic noarch 11:svn59159-69.fc39 fedora 11 k texlive-collection-latex noarch 11:svn63515-69.fc39 fedora 12 k texlive-colorprofiles noarch 11:svn49086-69.fc39 fedora 146 k texlive-colortbl noarch 11:svn64015-69.fc39 fedora 18 k texlive-courier noarch 11:svn61719-69.fc39 fedora 525 k texlive-crop noarch 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11:svn19795.0.1h-69.fc39 fedora 22 k texlive-euler noarch 11:svn42428-69.fc39 fedora 17 k texlive-everysel noarch 11:svn57489-69.fc39 fedora 448 k texlive-everyshi noarch 11:svn57001-69.fc39 fedora 147 k texlive-extsizes noarch 11:svn17263.1.4a-69.fc39 fedora 27 k texlive-fancybox noarch 11:svn18304.1.4-69.fc39 fedora 23 k texlive-fancyhdr noarch 11:svn64977-69.fc39 fedora 20 k texlive-fancyref noarch 11:svn15878.0.9c-69.fc39 fedora 19 k texlive-fancyvrb noarch 11:svn65585-69.fc39 fedora 26 k texlive-filecontents noarch 11:svn52142-69.fc39 fedora 16 k texlive-filehook noarch 11:svn64822-69.fc39 fedora 23 k texlive-finstrut noarch 11:svn21719.0.5-69.fc39 fedora 20 k texlive-firstaid noarch 11:svn64892-69.fc39 fedora 275 k texlive-fix2col noarch 11:svn38770-69.fc39 fedora 16 k texlive-float noarch 11:svn15878.1.3d-69.fc39 fedora 17 k texlive-fontspec noarch 11:svn63386-69.fc39 fedora 45 k texlive-footmisc noarch 11:svn62524-69.fc39 fedora 25 k texlive-footnotehyper noarch 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noarch 11:svn65758-69.fc39 fedora 119 k texlive-hyph-utf8 noarch 11:svn61719-69.fc39 fedora 29 k texlive-hyphen-base noarch 11:svn66413-69.fc39 fedora 34 k texlive-hyphenex noarch 11:svn57387-69.fc39 fedora 19 k texlive-ifmtarg noarch 11:svn47544-69.fc39 fedora 15 k texlive-ifoddpage noarch 11:svn64967-69.fc39 fedora 18 k texlive-ifplatform noarch 11:svn45533-69.fc39 fedora 16 k texlive-iftex noarch 11:svn61910-69.fc39 fedora 21 k texlive-index noarch 11:svn24099.4.1beta-69.fc39 fedora 23 k texlive-infwarerr noarch 11:svn53023-69.fc39 fedora 295 k texlive-intcalc noarch 11:svn53168-69.fc39 fedora 432 k texlive-jknapltx noarch 11:svn19440.0-69.fc39 fedora 27 k texlive-kastrup noarch 11:svn15878.0-69.fc39 fedora 13 k texlive-knuth-lib noarch 11:svn57963-69.fc39 fedora 52 k texlive-knuth-local noarch 11:svn57963-69.fc39 fedora 45 k texlive-koma-script noarch 11:svn64685-69.fc39 fedora 6.4 M texlive-kpathsea s390x 11:svn66209-77.fc39 fedora 1.1 M texlive-kvdefinekeys noarch 11:svn53193-69.fc39 fedora 306 k texlive-kvoptions noarch 11:svn63622-69.fc39 fedora 494 k texlive-kvsetkeys noarch 11:svn64632-69.fc39 fedora 398 k texlive-l3backend noarch 11:svn65573-69.fc39 fedora 897 k texlive-l3experimental noarch 11:svn65621-69.fc39 fedora 43 k texlive-l3kernel noarch 11:svn66094-69.fc39 fedora 202 k texlive-l3packages noarch 11:svn65722-69.fc39 fedora 41 k texlive-latex noarch 11:svn65161-77.fc39 fedora 30 M texlive-latex-fonts noarch 11:svn28888.0-69.fc39 fedora 50 k texlive-latex-lab noarch 11:svn64892-69.fc39 fedora 1.8 M texlive-latexbug noarch 11:svn63596-69.fc39 fedora 238 k texlive-latexconfig noarch 11:svn53525-69.fc39 fedora 15 k texlive-letltxmacro noarch 11:svn53022-69.fc39 fedora 300 k texlive-lib s390x 11:20230311-77.fc39 fedora 251 k texlive-lineno noarch 11:svn65586-69.fc39 fedora 76 k texlive-listings noarch 11:svn66222-69.fc39 fedora 167 k texlive-listofitems noarch 11:svn51923-69.fc39 fedora 807 k texlive-lm noarch 11:svn65956-69.fc39 fedora 12 M texlive-lm-math noarch 11:svn36915.1.959-69.fc39 fedora 447 k texlive-logreq noarch 11:svn53003-69.fc39 fedora 20 k texlive-ltabptch noarch 11:svn17533.1.74d-69.fc39 fedora 18 k texlive-ltxcmds noarch 11:svn56421-69.fc39 fedora 400 k texlive-ltxmisc noarch 11:svn21927.0-69.fc39 fedora 28 k texlive-lua-alt-getopt noarch 11:svn56414-69.fc39 fedora 13 k texlive-lua-uni-algos noarch 11:svn62204-69.fc39 fedora 97 k texlive-luabidi noarch 11:svn54512-69.fc39 fedora 20 k texlive-luahbtex s390x 11:svn66186-77.fc39 fedora 2.2 M texlive-lualatex-math noarch 11:svn61464-69.fc39 fedora 20 k texlive-lualibs noarch 11:svn64615-69.fc39 fedora 160 k texlive-luaotfload noarch 11:svn64616-77.fc39 fedora 1.2 M texlive-luatex s390x 11:svn66967-77.fc39 fedora 4.0 M texlive-luatexbase noarch 11:svn52663-69.fc39 fedora 16 k texlive-lwarp noarch 11:svn66259-77.fc39 fedora 3.5 M texlive-makecmds noarch 11:svn15878.0-69.fc39 fedora 15 k texlive-makeindex s390x 11:svn62517-77.fc39 fedora 437 k texlive-marginnote noarch 11:svn48383-69.fc39 fedora 17 k texlive-marvosym noarch 11:svn29349.2.2a-69.fc39 fedora 146 k texlive-mathpazo noarch 11:svn52663-69.fc39 fedora 90 k texlive-mathspec noarch 11:svn42773-69.fc39 fedora 24 k texlive-mathtools noarch 11:svn63767-69.fc39 fedora 38 k texlive-mdwtools noarch 11:svn15878.1.05.4-69.fc39 fedora 36 k texlive-memoir noarch 11:svn65040-69.fc39 fedora 94 k texlive-metafont s390x 11:svn66186-77.fc39 fedora 288 k texlive-metalogo noarch 11:svn18611.0.12-69.fc39 fedora 16 k texlive-mflogo noarch 11:svn42428-69.fc39 fedora 16 k texlive-mfnfss noarch 11:svn46036-69.fc39 fedora 17 k texlive-mfware s390x 11:svn66186-77.fc39 fedora 109 k texlive-microtype noarch 11:svn66587-69.fc39 fedora 83 k texlive-minitoc noarch 11:svn61719-69.fc39 fedora 122 k texlive-mnsymbol noarch 11:svn18651.1.4-69.fc39 fedora 4.4 M texlive-modes noarch 11:svn61719-69.fc39 fedora 306 k texlive-mparhack noarch 11:svn59066-69.fc39 fedora 18 k texlive-mptopdf noarch 11:svn65952-77.fc39 fedora 52 k texlive-ms noarch 11:svn57473-69.fc39 fedora 17 k texlive-multido noarch 11:svn18302.1.42-69.fc39 fedora 18 k texlive-natbib noarch 11:svn20668.8.31b-69.fc39 fedora 31 k texlive-newfloat noarch 11:svn52906-69.fc39 fedora 120 k texlive-notoccite noarch 11:svn18129.0-69.fc39 fedora 13 k texlive-ntgclass noarch 11:svn65522-69.fc39 fedora 34 k texlive-oberdiek noarch 11:svn65521-77.fc39 fedora 7.7 M texlive-pagesel noarch 11:svn56105-69.fc39 fedora 340 k texlive-palatino noarch 11:svn61719-69.fc39 fedora 423 k texlive-paralist noarch 11:svn43021-69.fc39 fedora 18 k texlive-parallel noarch 11:svn15878.0-69.fc39 fedora 18 k texlive-parskip noarch 11:svn58358-69.fc39 fedora 17 k texlive-pdfcol noarch 11:svn64469-69.fc39 fedora 327 k texlive-pdfcolfoot noarch 11:svn65512-69.fc39 fedora 319 k texlive-pdfcolmk noarch 11:svn52912-69.fc39 fedora 18 k texlive-pdfescape noarch 11:svn53082-69.fc39 fedora 353 k texlive-pdflscape noarch 11:svn64851-69.fc39 fedora 324 k texlive-pdfmanagement-testphase noarch 11:svn66532-69.fc39 fedora 8.3 M texlive-pdfpages noarch 11:svn65319-69.fc39 fedora 32 k texlive-pdftex s390x 11:svn66243-77.fc39 fedora 2.5 M texlive-pdftexcmds noarch 11:svn55777-69.fc39 fedora 391 k texlive-pgf noarch 11:svn65553-69.fc39 fedora 897 k texlive-picture noarch 11:svn54867-69.fc39 fedora 312 k texlive-placeins noarch 11:svn19848.2.2-69.fc39 fedora 13 k texlive-plain noarch 11:svn57963-69.fc39 fedora 48 k texlive-polyglossia noarch 11:svn65792-69.fc39 fedora 220 k texlive-psfrag noarch 11:svn15878.3.04-69.fc39 fedora 15 k texlive-pslatex noarch 11:svn57434-69.fc39 fedora 22 k texlive-psnfss noarch 11:svn54694-69.fc39 fedora 60 k texlive-pspicture noarch 11:svn15878.0-69.fc39 fedora 16 k texlive-pst-3d noarch 11:svn17257.1.10-69.fc39 fedora 18 k texlive-pst-coil noarch 11:svn62977-69.fc39 fedora 18 k texlive-pst-eps noarch 11:svn15878.1.0-69.fc39 fedora 17 k texlive-pst-fill noarch 11:svn60671-69.fc39 fedora 18 k texlive-pst-grad noarch 11:svn15878.1.06-69.fc39 fedora 18 k texlive-pst-math noarch 11:svn64732-69.fc39 fedora 20 k texlive-pst-node noarch 11:svn61838-69.fc39 fedora 40 k texlive-pst-ovl noarch 11:svn54963-69.fc39 fedora 16 k texlive-pst-plot noarch 11:svn65346-69.fc39 fedora 37 k texlive-pst-text noarch 11:svn49542-69.fc39 fedora 19 k texlive-pst-tools noarch 11:svn60621-69.fc39 fedora 21 k texlive-pst-tree noarch 11:svn60421-69.fc39 fedora 21 k texlive-pstricks noarch 11:svn65346-69.fc39 fedora 117 k texlive-pstricks-add noarch 11:svn65067-69.fc39 fedora 37 k texlive-ragged2e noarch 11:svn66152-69.fc39 fedora 682 k texlive-rcs noarch 11:svn15878.0-69.fc39 fedora 28 k texlive-realscripts noarch 11:svn56594-69.fc39 fedora 19 k texlive-refcount noarch 11:svn53164-69.fc39 fedora 335 k texlive-rerunfilecheck noarch 11:svn63869-69.fc39 fedora 341 k texlive-rsfs noarch 11:svn15878.0-69.fc39 fedora 73 k texlive-sansmath noarch 11:svn17997.1.1-69.fc39 fedora 14 k texlive-sansmathaccent noarch 11:svn53628-69.fc39 fedora 36 k texlive-sauerj noarch 11:svn15878.0-69.fc39 fedora 20 k texlive-section noarch 11:svn20180.0-69.fc39 fedora 24 k texlive-seminar noarch 11:svn59801-69.fc39 fedora 52 k texlive-sepnum noarch 11:svn20186.2.0-69.fc39 fedora 17 k texlive-setspace noarch 11:svn65206-69.fc39 fedora 18 k texlive-showexpl noarch 11:svn57414-69.fc39 fedora 18 k texlive-stringenc noarch 11:svn52982-69.fc39 fedora 702 k texlive-subfig noarch 11:svn15878.1.3-69.fc39 fedora 21 k texlive-symbol noarch 11:svn61719-69.fc39 fedora 54 k texlive-tex s390x 11:svn66186-77.fc39 fedora 234 k texlive-tex-ini-files noarch 11:svn40533-69.fc39 fedora 15 k texlive-texlive-common-doc noarch 11:svn54176-69.fc39 fedora 158 k texlive-texlive-en noarch 11:svn66572-77.fc39 fedora 2.0 M texlive-texlive-msg-translations noarch 11:svn66593-69.fc39 fedora 165 k texlive-texlive-scripts noarch 11:svn66584-77.fc39 fedora 122 k texlive-texlive.infra noarch 11:svn66512-77.fc39 fedora 295 k texlive-textcase noarch 11:svn63868-69.fc39 fedora 16 k texlive-thumbpdf noarch 11:svn62518-77.fc39 fedora 41 k texlive-times noarch 11:svn61719-69.fc39 fedora 368 k texlive-tipa noarch 11:svn29349.1.3-69.fc39 fedora 2.8 M texlive-titlesec noarch 11:svn59845-69.fc39 fedora 34 k texlive-tools noarch 11:svn64892-69.fc39 fedora 75 k texlive-translator noarch 11:svn59412-69.fc39 fedora 296 k texlive-transparent noarch 11:svn64852-69.fc39 fedora 286 k texlive-typehtml noarch 11:svn17134.0-69.fc39 fedora 21 k texlive-ucharcat noarch 11:svn38907-69.fc39 fedora 15 k texlive-ucs noarch 11:svn64114-69.fc39 fedora 423 k texlive-underscore noarch 11:svn18261.0-69.fc39 fedora 19 k texlive-unicode-data noarch 11:svn64423-69.fc39 fedora 371 k texlive-unicode-math noarch 11:svn61719-69.fc39 fedora 63 k texlive-uniquecounter noarch 11:svn53162-69.fc39 fedora 300 k texlive-url noarch 11:svn32528.3.4-69.fc39 fedora 20 k texlive-utopia noarch 11:svn15878.0-69.fc39 fedora 239 k texlive-varwidth noarch 11:svn24104.0.92-69.fc39 fedora 18 k texlive-xcolor noarch 11:svn63563-69.fc39 fedora 32 k texlive-xdvi s390x 11:svn62387-77.fc39 fedora 368 k texlive-xetex s390x 11:svn66203-77.fc39 fedora 1.3 M texlive-xetexconfig noarch 11:svn45845-69.fc39 fedora 11 k texlive-xifthen noarch 11:svn38929-69.fc39 fedora 16 k texlive-xkeyval noarch 11:svn63616-69.fc39 fedora 27 k texlive-xltxtra noarch 11:svn56594-69.fc39 fedora 17 k texlive-xpatch noarch 11:svn54563-69.fc39 fedora 19 k texlive-xstring noarch 11:svn65551-69.fc39 fedora 25 k texlive-xunicode noarch 11:svn30466.0.981-69.fc39 fedora 44 k texlive-zapfding noarch 11:svn61719-69.fc39 fedora 64 k texlive-zref noarch 11:svn62977-69.fc39 fedora 688 k urw-base35-bookman-fonts noarch 20200910-18.fc39 fedora 847 k urw-base35-c059-fonts noarch 20200910-18.fc39 fedora 874 k urw-base35-d050000l-fonts noarch 20200910-18.fc39 fedora 76 k urw-base35-fonts noarch 20200910-18.fc39 fedora 10 k urw-base35-fonts-common noarch 20200910-18.fc39 fedora 21 k urw-base35-gothic-fonts noarch 20200910-18.fc39 fedora 643 k urw-base35-nimbus-mono-ps-fonts noarch 20200910-18.fc39 fedora 795 k urw-base35-nimbus-roman-fonts noarch 20200910-18.fc39 fedora 856 k urw-base35-nimbus-sans-fonts noarch 20200910-18.fc39 fedora 1.3 M urw-base35-p052-fonts noarch 20200910-18.fc39 fedora 974 k urw-base35-standard-symbols-ps-fonts noarch 20200910-18.fc39 fedora 42 k urw-base35-z003-fonts noarch 20200910-18.fc39 fedora 276 k vim-filesystem noarch 2:9.0.1882-1.fc40 fedora 18 k xapian-core-libs s390x 1.4.23-1.fc40 copr_base 759 k xml-common noarch 0.6.3-61.fc39 fedora 31 k xpdf-libs s390x 1:4.04-10.fc39 fedora 667 k zziplib s390x 0.13.72-5.fc40 copr_base 87 k Transaction Summary ============================================================================================= Install 689 Packages Total size: 474 M Total download size: 317 M Installed size: 1.4 G Downloading Packages: [SKIPPED] cairo-1.17.8-5.fc40.s390x.rpm: Already downloaded [SKIPPED] cairo-gobject-1.17.8-5.fc40.s390x.rpm: Already downloaded [SKIPPED] cpp-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] cups-libs-2.4.6-6.fc40.s390x.rpm: Already downloaded [SKIPPED] freetype-2.13.1-2.fc40.s390x.rpm: Already downloaded [SKIPPED] gcc-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] gcc-c++-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] gcc-plugin-annobin-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] glibc-devel-2.38.9000-8.fc40.s390x.rpm: Already downloaded [SKIPPED] glibc-headers-s390-2.38.9000-8.fc40.noarch.rpm: Already downloaded [SKIPPED] graphviz-8.1.0-6.fc40.s390x.rpm: Already downloaded [SKIPPED] lcms2-2.15-2.fc40.s390x.rpm: Already downloaded [SKIPPED] libasan-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libatomic-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libgfortran-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] libjxl-0.8.2-3.fc40.s390x.rpm: Already downloaded [SKIPPED] libstdc++-devel-13.2.1-1.fc40.s390x.rpm: Already downloaded [SKIPPED] 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Verifying : jbig2dec-libs-0.19-10.fc39.s390x 76/689 Verifying : jbigkit-libs-2.1-26.fc39.s390x 77/689 Verifying : jsoncpp-1.9.5-5.fc39.s390x 78/689 Verifying : kernel-headers-6.6.0-0.rc1.git0.1.fc40.s390x 79/689 Verifying : lasi-1.1.3-11.fc39.s390x 80/689 Verifying : libICE-1.0.10-12.fc40.s390x 81/689 Verifying : libSM-1.2.3-14.fc40.s390x 82/689 Verifying : libX11-1.8.6-3.fc40.s390x 83/689 Verifying : libX11-common-1.8.6-3.fc40.noarch 84/689 Verifying : libXau-1.0.11-4.fc40.s390x 85/689 Verifying : libXaw-1.0.14-6.fc40.s390x 86/689 Verifying : libXext-1.3.5-3.fc39.s390x 87/689 Verifying : libXft-2.3.8-4.fc40.s390x 88/689 Verifying : libXi-1.8.1-3.fc40.s390x 89/689 Verifying : libXmu-1.1.4-4.fc40.s390x 90/689 Verifying : libXpm-3.5.15-5.fc40.s390x 91/689 Verifying : libXrender-0.9.11-4.fc40.s390x 92/689 Verifying : libXt-1.2.1-6.fc40.s390x 93/689 Verifying : libaom-3.7.0-1.fc40.s390x 94/689 Verifying : libavif-0.11.1-11.fc39.s390x 95/689 Verifying : libb2-0.98.1-9.fc39.s390x 96/689 Verifying : libdatrie-0.2.13-7.fc39.s390x 97/689 Verifying : libdav1d-1.2.1-2.fc39.s390x 98/689 Verifying : libedit-3.1-48.20230828cvs.fc40.s390x 99/689 Verifying : libgs-10.01.2-3.fc39.s390x 100/689 Verifying : libicu-73.2-2.fc39.s390x 101/689 Verifying : libijs-0.35-19.fc39.s390x 102/689 Verifying : libimagequant-4.0.1-5.fc39.s390x 103/689 Verifying : libjpeg-turbo-2.1.4-3.fc39.s390x 104/689 Verifying : liblerc-4.0.0-4.fc39.s390x 105/689 Verifying : libmpc-1.3.1-3.fc39.s390x 106/689 Verifying : libpaper-1:2.1.1-1.fc39.s390x 107/689 Verifying : libpng-2:1.6.37-15.fc39.s390x 108/689 Verifying : librsvg2-2.56.92-1.fc40.s390x 109/689 Verifying : libthai-0.1.29-6.fc39.s390x 110/689 Verifying : libtool-ltdl-2.4.7-8.fc40.s390x 111/689 Verifying : libuv-1:1.46.0-2.fc39.s390x 112/689 Verifying : libwebp-1.3.1-3.fc40.s390x 113/689 Verifying : libxcb-1.13.1-12.fc39.s390x 114/689 Verifying : libxcrypt-devel-4.4.36-2.fc39.s390x 115/689 Verifying : libxslt-1.1.38-3.fc39.s390x 116/689 Verifying : mailcap-2.1.54-2.fc39.noarch 117/689 Verifying : make-1:4.4.1-2.fc39.s390x 118/689 Verifying : maloc-1.5-28.fc39.s390x 119/689 Verifying : maloc-devel-1.5-28.fc39.s390x 120/689 Verifying : mpdecimal-2.5.1-7.fc39.s390x 121/689 Verifying : ncurses-6.4-7.20230520.fc40.s390x 122/689 Verifying : netpbm-11.02.00-2.fc39.s390x 123/689 Verifying : nettle-3.9.1-2.fc39.s390x 124/689 Verifying : openblas-0.3.21-6.fc39.s390x 125/689 Verifying : openblas-openmp-0.3.21-6.fc39.s390x 126/689 Verifying : openjpeg2-2.5.0-4.fc39.s390x 127/689 Verifying : pango-1.51.0-1.fc40.s390x 128/689 Verifying : perl-Authen-SASL-2.1700-1.fc40.noarch 129/689 Verifying : perl-AutoLoader-5.74-500.fc39.noarch 130/689 Verifying : perl-B-1.88-500.fc39.s390x 131/689 Verifying : perl-B-Hooks-EndOfScope-0.26-7.fc39.noarch 132/689 Verifying : perl-Business-ISBN-3.008-2.fc39.noarch 133/689 Verifying : perl-Business-ISBN-Data-20230907.001-1.fc40.noar 134/689 Verifying : perl-Business-ISMN-1.203-2.fc39.noarch 135/689 Verifying : 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perl-Date-Manip-6.92-2.fc39.noarch 153/689 Verifying : perl-DateTime-2:1.59-5.fc39.s390x 154/689 Verifying : perl-DateTime-Calendar-Julian-0.107-5.fc39.noarc 155/689 Verifying : perl-DateTime-Format-Builder-0.8300-11.fc39.noar 156/689 Verifying : perl-DateTime-Format-Strptime-1:1.79-8.fc39.noar 157/689 Verifying : perl-DateTime-Locale-1.39-2.fc39.noarch 158/689 Verifying : perl-DateTime-TimeZone-2.60-4.fc39.noarch 159/689 Verifying : perl-DateTime-TimeZone-SystemV-0.010-19.fc39.noa 160/689 Verifying : perl-DateTime-TimeZone-Tzfile-0.011-19.fc39.noar 161/689 Verifying : perl-Devel-CallChecker-0.009-3.fc39.s390x 162/689 Verifying : perl-Devel-Caller-2.07-3.fc39.s390x 163/689 Verifying : perl-Devel-GlobalDestruction-0.14-22.fc39.noarch 164/689 Verifying : perl-Devel-LexAlias-0.05-34.fc39.s390x 165/689 Verifying : perl-Devel-StackTrace-1:2.04-16.fc39.noarch 166/689 Verifying : perl-Digest-1.20-500.fc39.noarch 167/689 Verifying : perl-Digest-HMAC-1.04-8.fc39.noarch 168/689 Verifying : perl-Digest-MD5-2.58-500.fc39.s390x 169/689 Verifying : perl-Digest-SHA-1:6.04-501.fc39.s390x 170/689 Verifying : perl-Dist-CheckConflicts-0.11-28.fc39.noarch 171/689 Verifying : perl-DynaLoader-1.54-500.fc39.s390x 172/689 Verifying : perl-DynaLoader-Functions-0.004-2.fc39.noarch 173/689 Verifying : perl-Email-Date-Format-1.008-2.fc39.noarch 174/689 Verifying : perl-Encode-4:3.19-500.fc39.s390x 175/689 Verifying : perl-Encode-Locale-1.05-27.fc39.noarch 176/689 Verifying : perl-English-1.11-500.fc39.noarch 177/689 Verifying : perl-Errno-1.37-500.fc39.s390x 178/689 Verifying : perl-Eval-Closure-0.14-21.fc39.noarch 179/689 Verifying : perl-Exception-Class-1.45-8.fc39.noarch 180/689 Verifying : perl-Exporter-5.77-500.fc39.noarch 181/689 Verifying : perl-ExtUtils-MM-Utils-2:7.70-501.fc39.noarch 182/689 Verifying : perl-Fcntl-1.15-500.fc39.s390x 183/689 Verifying : perl-File-Basename-2.86-500.fc39.noarch 184/689 Verifying : perl-File-Compare-1.100.700-500.fc39.noarch 185/689 Verifying : perl-File-Copy-2.41-500.fc39.noarch 186/689 Verifying : perl-File-Find-1.43-500.fc39.noarch 187/689 Verifying : perl-File-Find-Rule-0.34-26.fc39.noarch 188/689 Verifying : perl-File-Listing-6.16-1.fc39.noarch 189/689 Verifying : perl-File-Path-2.18-500.fc39.noarch 190/689 Verifying : perl-File-ShareDir-1.118-9.fc39.noarch 191/689 Verifying : perl-File-Slurper-0.014-3.fc39.noarch 192/689 Verifying : perl-File-Temp-1:0.231.100-500.fc39.noarch 193/689 Verifying : perl-File-stat-1.13-500.fc39.noarch 194/689 Verifying : perl-FileHandle-2.05-500.fc39.noarch 195/689 Verifying : perl-Filter-2:1.64-501.fc39.s390x 196/689 Verifying : perl-GSSAPI-0.28-43.fc39.s390x 197/689 Verifying : perl-Getopt-Long-1:2.54-500.fc39.noarch 198/689 Verifying : perl-Getopt-Std-1.13-500.fc39.noarch 199/689 Verifying : perl-HTML-Parser-3.81-3.fc39.s390x 200/689 Verifying : perl-HTML-Tagset-3.20-55.fc40.noarch 201/689 Verifying : perl-HTTP-Cookies-6.10-10.fc39.noarch 202/689 Verifying : perl-HTTP-Date-6.06-2.fc39.noarch 203/689 Verifying : perl-HTTP-Message-6.44-3.fc39.noarch 204/689 Verifying : perl-HTTP-Negotiate-6.01-36.fc39.noarch 205/689 Verifying : perl-HTTP-Tiny-0.088-3.fc39.noarch 206/689 Verifying : perl-Hash-Util-FieldHash-1.26-500.fc39.s390x 207/689 Verifying : perl-I18N-LangTags-0.45-500.fc39.noarch 208/689 Verifying : perl-I18N-Langinfo-0.22-500.fc39.s390x 209/689 Verifying : perl-IO-1.52-500.fc39.s390x 210/689 Verifying : perl-IO-Compress-2.206-1.fc39.noarch 211/689 Verifying : perl-IO-HTML-1.004-11.fc39.noarch 212/689 Verifying : perl-IO-Socket-IP-0.42-1.fc39.noarch 213/689 Verifying : perl-IO-Socket-SSL-2.083-3.fc39.noarch 214/689 Verifying : perl-IO-String-1.08-48.fc39.noarch 215/689 Verifying : perl-IPC-Cmd-2:1.04-501.fc39.noarch 216/689 Verifying : perl-IPC-Open3-1.22-500.fc39.noarch 217/689 Verifying : perl-IPC-Run3-0.048-29.fc39.noarch 218/689 Verifying : perl-IPC-SysV-2.09-501.fc39.s390x 219/689 Verifying : perl-IPC-System-Simple-1.30-11.fc39.noarch 220/689 Verifying : perl-JSON-4.10-3.fc39.noarch 221/689 Verifying : perl-LDAP-1:0.68-11.fc39.noarch 222/689 Verifying : perl-LWP-MediaTypes-6.04-15.fc39.noarch 223/689 Verifying : perl-LWP-Protocol-https-6.11-1.fc39.noarch 224/689 Verifying : perl-Lingua-Translit-0.29-4.fc39.noarch 225/689 Verifying : perl-List-AllUtils-0.19-10.fc39.noarch 226/689 Verifying : perl-List-SomeUtils-0.59-3.fc39.noarch 227/689 Verifying : perl-List-UtilsBy-0.12-7.fc39.noarch 228/689 Verifying : perl-Locale-Maketext-1.33-501.fc39.noarch 229/689 Verifying : perl-Locale-Maketext-Simple-1:0.21-500.fc39.noar 230/689 Verifying : perl-Log-Dispatch-2.71-2.fc39.noarch 231/689 Verifying : perl-Log-Dispatch-FileRotate-1.38-7.fc39.noarch 232/689 Verifying : perl-Log-Log4perl-1.57-3.fc39.noarch 233/689 Verifying : perl-MIME-Base64-3.16-500.fc39.s390x 234/689 Verifying : perl-MIME-Charset-1.013.1-3.fc39.noarch 235/689 Verifying : perl-MIME-Lite-3.033-8.fc39.noarch 236/689 Verifying : perl-MIME-Types-2.24-3.fc39.noarch 237/689 Verifying : perl-MRO-Compat-0.15-7.fc39.noarch 238/689 Verifying : perl-Mail-Sender-1:0.903-22.fc39.noarch 239/689 Verifying : perl-Mail-Sendmail-0.80-18.fc39.noarch 240/689 Verifying : perl-MailTools-2.21-14.fc39.noarch 241/689 Verifying : perl-Math-BigInt-1:1.9998.39-2.fc39.noarch 242/689 Verifying : perl-Math-BigRat-0.2624-500.fc39.noarch 243/689 Verifying : perl-Math-Complex-1.62-500.fc39.noarch 244/689 Verifying : perl-Module-CoreList-1:5.20230820-1.fc40.noarch 245/689 Verifying : perl-Module-Implementation-0.09-37.fc39.noarch 246/689 Verifying : perl-Module-Load-1:0.36-500.fc39.noarch 247/689 Verifying : perl-Module-Load-Conditional-0.74-500.fc39.noarc 248/689 Verifying : perl-Module-Metadata-1.000038-3.fc39.noarch 249/689 Verifying : perl-Module-Runtime-0.016-20.fc39.noarch 250/689 Verifying : perl-Mozilla-CA-20230821-1.fc40.noarch 251/689 Verifying : perl-NTLM-1.09-36.fc39.noarch 252/689 Verifying : perl-Net-HTTP-6.23-2.fc39.noarch 253/689 Verifying : perl-Net-SMTP-SSL-1.04-22.fc40.noarch 254/689 Verifying : perl-Net-SSLeay-1.92-10.fc39.s390x 255/689 Verifying : perl-Number-Compare-0.03-36.fc39.noarch 256/689 Verifying : perl-Opcode-1.64-500.fc39.s390x 257/689 Verifying : perl-POSIX-2.13-500.fc39.s390x 258/689 Verifying : perl-Package-Generator-1.106-29.fc39.noarch 259/689 Verifying : perl-Package-Stash-0.40-5.fc39.noarch 260/689 Verifying : perl-Package-Stash-XS-0.30-5.fc39.s390x 261/689 Verifying : perl-PadWalker-2.5-10.fc39.s390x 262/689 Verifying : perl-Params-Check-1:0.38-500.fc39.noarch 263/689 Verifying : perl-Params-Classify-0.015-20.fc39.s390x 264/689 Verifying : perl-Params-Util-1.102-12.fc39.s390x 265/689 Verifying : perl-Params-Validate-1.31-5.fc39.s390x 266/689 Verifying : perl-Params-ValidationCompiler-0.31-3.fc39.noarc 267/689 Verifying : perl-Parse-RecDescent-1.967015-20.fc39.noarch 268/689 Verifying : perl-PathTools-3.89-500.fc39.s390x 269/689 Verifying : perl-Pod-Escapes-1:1.07-501.fc40.noarch 270/689 Verifying : perl-Pod-Html-1.34-500.fc39.noarch 271/689 Verifying : perl-Pod-Perldoc-3.28.01-501.fc39.noarch 272/689 Verifying : perl-Pod-Simple-1:3.45-4.fc39.noarch 273/689 Verifying : perl-Pod-Usage-4:2.03-500.fc39.noarch 274/689 Verifying : perl-Ref-Util-0.204-18.fc39.noarch 275/689 Verifying : perl-Ref-Util-XS-0.117-20.fc39.s390x 276/689 Verifying : perl-Regexp-Common-2017060201-22.fc39.noarch 277/689 Verifying : perl-Role-Tiny-2.002004-9.fc39.noarch 278/689 Verifying : perl-Safe-2.44-500.fc39.noarch 279/689 Verifying : perl-Scalar-List-Utils-5:1.63-500.fc39.s390x 280/689 Verifying : perl-SelectSaver-1.02-500.fc39.noarch 281/689 Verifying : perl-Socket-4:2.037-3.fc39.s390x 282/689 Verifying : perl-Sort-Key-1.33-28.fc39.s390x 283/689 Verifying : perl-Specio-0.48-4.fc39.noarch 284/689 Verifying : perl-Storable-1:3.32-500.fc39.s390x 285/689 Verifying : perl-Sub-Exporter-0.990-1.fc39.noarch 286/689 Verifying : perl-Sub-Exporter-Progressive-0.001013-22.fc39.n 287/689 Verifying : perl-Sub-Identify-0.14-24.fc39.s390x 288/689 Verifying : perl-Sub-Install-0.929-3.fc39.noarch 289/689 Verifying : perl-Symbol-1.09-500.fc39.noarch 290/689 Verifying : perl-Sys-Hostname-1.25-500.fc39.s390x 291/689 Verifying : perl-Sys-Syslog-0.36-501.fc39.s390x 292/689 Verifying : perl-Term-ANSIColor-5.01-501.fc39.noarch 293/689 Verifying : perl-Term-Cap-1.18-500.fc39.noarch 294/689 Verifying : perl-Text-Balanced-2.06-500.fc39.noarch 295/689 Verifying : perl-Text-BibTeX-0.89-3.fc39.s390x 296/689 Verifying : perl-Text-CSV-2.03-1.fc40.noarch 297/689 Verifying : perl-Text-Glob-0.11-21.fc39.noarch 298/689 Verifying : perl-Text-ParseWords-3.31-500.fc39.noarch 299/689 Verifying : perl-Text-Roman-3.5-25.fc39.noarch 300/689 Verifying : perl-Text-Soundex-3.05-28.fc39.s390x 301/689 Verifying : perl-Text-Tabs+Wrap-2023.0511-3.fc39.noarch 302/689 Verifying : perl-Text-Unidecode-1.30-22.fc39.noarch 303/689 Verifying : perl-Tie-4.6-500.fc39.noarch 304/689 Verifying : perl-Tie-Cycle-1.227-9.fc39.noarch 305/689 Verifying : perl-Tie-RefHash-1.40-500.fc39.noarch 306/689 Verifying : perl-Time-HiRes-4:1.9775-500.fc39.s390x 307/689 Verifying : perl-Time-Local-2:1.350-3.fc39.noarch 308/689 Verifying : perl-TimeDate-1:2.33-11.fc39.noarch 309/689 Verifying : perl-Try-Tiny-0.31-6.fc39.noarch 310/689 Verifying : perl-URI-5.21-1.fc40.noarch 311/689 Verifying : perl-Unicode-Collate-1.31-500.fc39.s390x 312/689 Verifying : perl-Unicode-LineBreak-2019.001-18.fc39.s390x 313/689 Verifying : perl-Unicode-Normalize-1.32-500.fc39.s390x 314/689 Verifying : perl-Unicode-UCD-0.78-500.fc39.noarch 315/689 Verifying : perl-Variable-Magic-0.63-4.fc39.s390x 316/689 Verifying : perl-WWW-RobotRules-6.02-37.fc39.noarch 317/689 Verifying : perl-XML-LibXML-1:2.0209-2.fc39.s390x 318/689 Verifying : perl-XML-LibXML-Simple-1.01-12.fc39.noarch 319/689 Verifying : perl-XML-LibXSLT-2.002.001-3.fc39.s390x 320/689 Verifying : perl-XML-NamespaceSupport-1.12-20.fc39.noarch 321/689 Verifying : perl-XML-Parser-2.46-15.fc39.s390x 322/689 Verifying : perl-XML-SAX-1.02-13.fc39.noarch 323/689 Verifying : perl-XML-SAX-Base-1.09-20.fc39.noarch 324/689 Verifying : perl-XML-Writer-0.900-12.fc39.noarch 325/689 Verifying : perl-XML-XPath-1.48-4.fc39.noarch 326/689 Verifying : perl-XString-0.005-10.fc39.s390x 327/689 Verifying : perl-autodie-2.36-501.fc39.noarch 328/689 Verifying : perl-autovivification-0.18-20.fc39.s390x 329/689 Verifying : perl-base-2.27-500.fc39.noarch 330/689 Verifying : perl-constant-1.33-501.fc39.noarch 331/689 Verifying : perl-deprecate-0.04-500.fc39.noarch 332/689 Verifying : perl-encoding-4:3.00-500.fc39.s390x 333/689 Verifying : perl-if-0.61.000-500.fc39.noarch 334/689 Verifying : perl-interpreter-4:5.38.0-500.fc39.s390x 335/689 Verifying : perl-libnet-3.15-501.fc39.noarch 336/689 Verifying : perl-libs-4:5.38.0-500.fc39.s390x 337/689 Verifying : perl-libwww-perl-6.72-1.fc39.noarch 338/689 Verifying : perl-locale-1.10-500.fc39.noarch 339/689 Verifying : perl-meta-notation-5.38.0-500.fc39.noarch 340/689 Verifying : perl-mro-1.28-500.fc39.s390x 341/689 Verifying : perl-namespace-autoclean-0.29-16.fc39.noarch 342/689 Verifying : perl-namespace-clean-0.27-24.fc39.noarch 343/689 Verifying : perl-open-1.13-500.fc39.noarch 344/689 Verifying : perl-overload-1.37-500.fc39.noarch 345/689 Verifying : perl-overloading-0.02-500.fc39.noarch 346/689 Verifying : perl-parent-1:0.241-500.fc39.noarch 347/689 Verifying : perl-podlators-1:5.01-500.fc39.noarch 348/689 Verifying : perl-sigtrap-1.10-500.fc39.noarch 349/689 Verifying : perl-subs-1.04-500.fc39.noarch 350/689 Verifying : perl-vars-1.05-500.fc39.noarch 351/689 Verifying : perl-version-8:0.99.30-1.fc40.s390x 352/689 Verifying : perltidy-20230912-1.fc40.noarch 353/689 Verifying : pixman-0.42.2-2.fc39.s390x 354/689 Verifying : poppler-23.08.0-1.fc39.s390x 355/689 Verifying : poppler-data-0.4.11-5.fc39.noarch 356/689 Verifying : poppler-glib-23.08.0-1.fc39.s390x 357/689 Verifying : pyproject-rpm-macros-1.9.0-2.fc39.noarch 358/689 Verifying : python-pip-wheel-23.2.1-1.fc39.noarch 359/689 Verifying : python-rpm-macros-3.12-4.fc40.noarch 360/689 Verifying : python3-3.12.0~rc2-1.fc40.s390x 361/689 Verifying : python3-babel-2.12.1-4.fc39~bootstrap.noarch 362/689 Verifying : python3-charset-normalizer-3.2.0-2.fc39.noarch 363/689 Verifying : python3-devel-3.12.0~rc2-1.fc40.s390x 364/689 Verifying : python3-docutils-0.20.1-1.fc40.noarch 365/689 Verifying : python3-idna-3.4-5.fc40.noarch 366/689 Verifying : python3-imagesize-1.4.1-5.fc40.noarch 367/689 Verifying : python3-jinja2-3.1.2-6.fc40.noarch 368/689 Verifying : python3-libs-3.12.0~rc2-1.fc40.s390x 369/689 Verifying : python3-markupsafe-2.1.3-2.fc39.s390x 370/689 Verifying : python3-numpy-1:1.24.4-2.fc39.s390x 371/689 Verifying : python3-packaging-23.1-5.fc40.noarch 372/689 Verifying : python3-pygments-2.16.1-1.fc40.noarch 373/689 Verifying : python3-pysocks-1.7.1-20.fc39.noarch 374/689 Verifying : python3-requests-2.28.2-6.fc40.noarch 375/689 Verifying : python3-rpm-generators-14-7.fc39.noarch 376/689 Verifying : python3-rpm-macros-3.12-4.fc40.noarch 377/689 Verifying : python3-snowballstemmer-2.2.0-7.fc39.noarch 378/689 Verifying : python3-sphinx-1:7.1.2-1.fc40.noarch 379/689 Verifying : python3-sphinx-theme-alabaster-0.7.12-19.fc39.no 380/689 Verifying : python3-sphinxcontrib-applehelp-1.0.6-1.fc40.noa 381/689 Verifying : python3-sphinxcontrib-devhelp-1.0.2-14.fc39.noar 382/689 Verifying : python3-sphinxcontrib-htmlhelp-2.0.3-1.fc40.noar 383/689 Verifying : python3-sphinxcontrib-jsmath-1.0.1-22.fc39.noarc 384/689 Verifying : python3-sphinxcontrib-qthelp-1.0.3-15.fc39.noarc 385/689 Verifying : python3-sphinxcontrib-serializinghtml-1.1.5-10.f 386/689 Verifying : python3-urllib3+socks-1.26.16-3.fc40.noarch 387/689 Verifying : python3-urllib3-1.26.16-3.fc40.noarch 388/689 Verifying : rav1e-libs-0.6.6-2.fc39.s390x 389/689 Verifying : rhash-1.4.3-3.fc39.s390x 390/689 Verifying : rsvg-pixbuf-loader-2.56.92-1.fc40.s390x 391/689 Verifying : shared-mime-info-2.2-4.fc39.s390x 392/689 Verifying : sombok-2.4.0-20.fc39.s390x 393/689 Verifying : svt-av1-libs-1.4.1-3.fc39.s390x 394/689 Verifying : swig-4.1.1-9.fc39.s390x 395/689 Verifying : texlive-adjustbox-11:svn64967-69.fc39.noarch 396/689 Verifying : texlive-ae-11:svn15878.1.4-69.fc39.noarch 397/689 Verifying : texlive-algorithms-11:svn42428-69.fc39.noarch 398/689 Verifying : texlive-alphalph-11:svn53087-69.fc39.noarch 399/689 Verifying : texlive-amscls-11:svn55378-69.fc39.noarch 400/689 Verifying : texlive-amsfonts-11:svn61937-69.fc39.noarch 401/689 Verifying : texlive-amsmath-11:svn63514-69.fc39.noarch 402/689 Verifying : texlive-anysize-11:svn15878.0-69.fc39.noarch 403/689 Verifying : texlive-atbegshi-11:svn53051-69.fc39.noarch 404/689 Verifying : texlive-attachfile-11:svn42099-69.fc39.noarch 405/689 Verifying : texlive-attachfile2-11:svn57959-77.fc39.noarch 406/689 Verifying : texlive-atveryend-11:svn53108-69.fc39.noarch 407/689 Verifying : texlive-auto-pst-pdf-11:svn56596-69.fc39.noarch 408/689 Verifying : texlive-auxhook-11:svn53173-69.fc39.noarch 409/689 Verifying : texlive-avantgar-11:svn61983-69.fc39.noarch 410/689 Verifying : texlive-babel-english-11:svn44495-69.fc39.noarch 411/689 Verifying : texlive-babel-11:svn65823-69.fc39.noarch 412/689 Verifying : texlive-babelbib-11:svn57349-69.fc39.noarch 413/689 Verifying : texlive-base-11:20230311-77.fc39.s390x 414/689 Verifying : texlive-beamer-11:svn65984-69.fc39.noarch 415/689 Verifying : texlive-bera-11:svn20031.0-69.fc39.noarch 416/689 Verifying : texlive-beton-11:svn15878.0-69.fc39.noarch 417/689 Verifying : texlive-biblatex-11:svn66403-69.fc39.noarch 418/689 Verifying : texlive-bibtex-11:svn66186-77.fc39.s390x 419/689 Verifying : texlive-bidi-11:svn65572-69.fc39.noarch 420/689 Verifying : texlive-bigintcalc-11:svn53172-69.fc39.noarch 421/689 Verifying : texlive-bitset-11:svn53837-69.fc39.noarch 422/689 Verifying : texlive-bookman-11:svn61719-69.fc39.noarch 423/689 Verifying : texlive-bookmark-11:svn56885-69.fc39.noarch 424/689 Verifying : texlive-booktabs-11:svn53402-69.fc39.noarch 425/689 Verifying : texlive-breakurl-11:svn29901.1.40-69.fc39.noarch 426/689 Verifying : texlive-breqn-11:svn60881-69.fc39.noarch 427/689 Verifying : texlive-caption-11:svn66580-69.fc39.noarch 428/689 Verifying : texlive-carlisle-11:svn59577-69.fc39.noarch 429/689 Verifying : texlive-catchfile-11:svn53084-69.fc39.noarch 430/689 Verifying : texlive-changepage-11:svn15878.1.0c-69.fc39.noar 431/689 Verifying : texlive-charter-11:svn15878.0-69.fc39.noarch 432/689 Verifying : texlive-cite-11:svn36428.5.5-69.fc39.noarch 433/689 Verifying : texlive-cm-super-11:svn15878.0-69.fc39.noarch 434/689 Verifying : texlive-cm-11:svn57963-69.fc39.noarch 435/689 Verifying : texlive-cmap-11:svn57640-69.fc39.noarch 436/689 Verifying : texlive-collectbox-11:svn64967-69.fc39.noarch 437/689 Verifying : texlive-collection-basic-11:svn59159-69.fc39.noa 438/689 Verifying : texlive-collection-latex-11:svn63515-69.fc39.noa 439/689 Verifying : texlive-collection-latexrecommended-11:svn65512- 440/689 Verifying : texlive-colorprofiles-11:svn49086-69.fc39.noarch 441/689 Verifying : texlive-colortbl-11:svn64015-69.fc39.noarch 442/689 Verifying : texlive-courier-11:svn61719-69.fc39.noarch 443/689 Verifying : texlive-crop-11:svn55424-69.fc39.noarch 444/689 Verifying : texlive-csquotes-11:svn64389-69.fc39.noarch 445/689 Verifying : texlive-ctable-11:svn38672-69.fc39.noarch 446/689 Verifying : texlive-ctablestack-11:svn38514-69.fc39.noarch 447/689 Verifying : texlive-currfile-11:svn64673-69.fc39.noarch 448/689 Verifying : texlive-dehyph-11:svn48599-69.fc39.noarch 449/689 Verifying : texlive-dvipdfmx-11:svn66203-77.fc39.s390x 450/689 Verifying : texlive-dvips-11:svn66203-77.fc39.s390x 451/689 Verifying : texlive-ec-11:svn25033.1.0-69.fc39.noarch 452/689 Verifying : texlive-enctex-11:svn34957.0-69.fc39.noarch 453/689 Verifying : texlive-enumitem-11:svn51423-69.fc39.noarch 454/689 Verifying : texlive-epstopdf-pkg-11:svn53546-69.fc39.noarch 455/689 Verifying : texlive-epstopdf-11:svn66461-77.fc39.noarch 456/689 Verifying : texlive-eso-pic-11:svn56658-69.fc39.noarch 457/689 Verifying : texlive-etex-pkg-11:svn41784-69.fc39.noarch 458/689 Verifying : texlive-etex-11:svn66203-69.fc39.noarch 459/689 Verifying : texlive-etexcmds-11:svn53171-69.fc39.noarch 460/689 Verifying : texlive-etoc-11:svn66299-69.fc39.noarch 461/689 Verifying : texlive-etoolbox-11:svn56554-69.fc39.noarch 462/689 Verifying : texlive-euenc-11:svn19795.0.1h-69.fc39.noarch 463/689 Verifying : texlive-euler-11:svn42428-69.fc39.noarch 464/689 Verifying : texlive-everysel-11:svn57489-69.fc39.noarch 465/689 Verifying : texlive-everyshi-11:svn57001-69.fc39.noarch 466/689 Verifying : texlive-extsizes-11:svn17263.1.4a-69.fc39.noarch 467/689 Verifying : texlive-fancybox-11:svn18304.1.4-69.fc39.noarch 468/689 Verifying : texlive-fancyhdr-11:svn64977-69.fc39.noarch 469/689 Verifying : texlive-fancyref-11:svn15878.0.9c-69.fc39.noarch 470/689 Verifying : texlive-fancyvrb-11:svn65585-69.fc39.noarch 471/689 Verifying : texlive-filecontents-11:svn52142-69.fc39.noarch 472/689 Verifying : texlive-filehook-11:svn64822-69.fc39.noarch 473/689 Verifying : texlive-finstrut-11:svn21719.0.5-69.fc39.noarch 474/689 Verifying : texlive-firstaid-11:svn64892-69.fc39.noarch 475/689 Verifying : texlive-fix2col-11:svn38770-69.fc39.noarch 476/689 Verifying : texlive-float-11:svn15878.1.3d-69.fc39.noarch 477/689 Verifying : texlive-fontspec-11:svn63386-69.fc39.noarch 478/689 Verifying : texlive-footmisc-11:svn62524-69.fc39.noarch 479/689 Verifying : texlive-footnotehyper-11:svn60374-69.fc39.noarch 480/689 Verifying : texlive-fp-11:svn49719-69.fc39.noarch 481/689 Verifying : texlive-fpl-11:svn54512-69.fc39.noarch 482/689 Verifying : texlive-geometry-11:svn61719-69.fc39.noarch 483/689 Verifying : texlive-gettitlestring-11:svn53170-69.fc39.noarc 484/689 Verifying : texlive-glyphlist-11:svn54074-77.fc39.noarch 485/689 Verifying : texlive-graphics-cfg-11:svn41448-69.fc39.noarch 486/689 Verifying : texlive-graphics-def-11:svn64487-69.fc39.noarch 487/689 Verifying : texlive-graphics-11:svn66204-69.fc39.noarch 488/689 Verifying : texlive-grfext-11:svn53024-69.fc39.noarch 489/689 Verifying : texlive-grffile-11:svn52756-69.fc39.noarch 490/689 Verifying : texlive-gsftopk-11:svn52851-77.fc39.s390x 491/689 Verifying : texlive-hanging-11:svn15878.1.2b-69.fc39.noarch 492/689 Verifying : texlive-helvetic-11:svn61719-69.fc39.noarch 493/689 Verifying : texlive-hobsub-11:svn52810-69.fc39.noarch 494/689 Verifying : texlive-hologo-11:svn61719-69.fc39.noarch 495/689 Verifying : texlive-hopatch-11:svn65491-69.fc39.noarch 496/689 Verifying : texlive-hycolor-11:svn53584-69.fc39.noarch 497/689 Verifying : texlive-hypdoc-11:svn65678-69.fc39.noarch 498/689 Verifying : texlive-hyperref-11:svn65758-69.fc39.noarch 499/689 Verifying : texlive-hyph-utf8-11:svn61719-69.fc39.noarch 500/689 Verifying : texlive-hyphen-base-11:svn66413-69.fc39.noarch 501/689 Verifying : texlive-hyphenex-11:svn57387-69.fc39.noarch 502/689 Verifying : texlive-ifmtarg-11:svn47544-69.fc39.noarch 503/689 Verifying : texlive-ifoddpage-11:svn64967-69.fc39.noarch 504/689 Verifying : texlive-ifplatform-11:svn45533-69.fc39.noarch 505/689 Verifying : texlive-iftex-11:svn61910-69.fc39.noarch 506/689 Verifying : texlive-index-11:svn24099.4.1beta-69.fc39.noarch 507/689 Verifying : texlive-infwarerr-11:svn53023-69.fc39.noarch 508/689 Verifying : texlive-intcalc-11:svn53168-69.fc39.noarch 509/689 Verifying : texlive-jknapltx-11:svn19440.0-69.fc39.noarch 510/689 Verifying : texlive-kastrup-11:svn15878.0-69.fc39.noarch 511/689 Verifying : texlive-knuth-lib-11:svn57963-69.fc39.noarch 512/689 Verifying : texlive-knuth-local-11:svn57963-69.fc39.noarch 513/689 Verifying : texlive-koma-script-11:svn64685-69.fc39.noarch 514/689 Verifying : texlive-kpathsea-11:svn66209-77.fc39.s390x 515/689 Verifying : texlive-kvdefinekeys-11:svn53193-69.fc39.noarch 516/689 Verifying : texlive-kvoptions-11:svn63622-69.fc39.noarch 517/689 Verifying : texlive-kvsetkeys-11:svn64632-69.fc39.noarch 518/689 Verifying : texlive-l3backend-11:svn65573-69.fc39.noarch 519/689 Verifying : texlive-l3experimental-11:svn65621-69.fc39.noarc 520/689 Verifying : texlive-l3kernel-11:svn66094-69.fc39.noarch 521/689 Verifying : texlive-l3packages-11:svn65722-69.fc39.noarch 522/689 Verifying : texlive-latex-fonts-11:svn28888.0-69.fc39.noarch 523/689 Verifying : texlive-latex-lab-11:svn64892-69.fc39.noarch 524/689 Verifying : texlive-latex-11:svn65161-77.fc39.noarch 525/689 Verifying : texlive-latexbug-11:svn63596-69.fc39.noarch 526/689 Verifying : texlive-latexconfig-11:svn53525-69.fc39.noarch 527/689 Verifying : texlive-letltxmacro-11:svn53022-69.fc39.noarch 528/689 Verifying : texlive-lib-11:20230311-77.fc39.s390x 529/689 Verifying : texlive-lineno-11:svn65586-69.fc39.noarch 530/689 Verifying : texlive-listings-11:svn66222-69.fc39.noarch 531/689 Verifying : texlive-listofitems-11:svn51923-69.fc39.noarch 532/689 Verifying : texlive-lm-math-11:svn36915.1.959-69.fc39.noarch 533/689 Verifying : texlive-lm-11:svn65956-69.fc39.noarch 534/689 Verifying : texlive-logreq-11:svn53003-69.fc39.noarch 535/689 Verifying : texlive-ltabptch-11:svn17533.1.74d-69.fc39.noarc 536/689 Verifying : texlive-ltxcmds-11:svn56421-69.fc39.noarch 537/689 Verifying : texlive-ltxmisc-11:svn21927.0-69.fc39.noarch 538/689 Verifying : texlive-lua-alt-getopt-11:svn56414-69.fc39.noarc 539/689 Verifying : texlive-lua-uni-algos-11:svn62204-69.fc39.noarch 540/689 Verifying : texlive-luabidi-11:svn54512-69.fc39.noarch 541/689 Verifying : texlive-luahbtex-11:svn66186-77.fc39.s390x 542/689 Verifying : texlive-lualatex-math-11:svn61464-69.fc39.noarch 543/689 Verifying : texlive-lualibs-11:svn64615-69.fc39.noarch 544/689 Verifying : texlive-luaotfload-11:svn64616-77.fc39.noarch 545/689 Verifying : texlive-luatex-11:svn66967-77.fc39.s390x 546/689 Verifying : texlive-luatexbase-11:svn52663-69.fc39.noarch 547/689 Verifying : texlive-lwarp-11:svn66259-77.fc39.noarch 548/689 Verifying : texlive-makecmds-11:svn15878.0-69.fc39.noarch 549/689 Verifying : texlive-makeindex-11:svn62517-77.fc39.s390x 550/689 Verifying : texlive-marginnote-11:svn48383-69.fc39.noarch 551/689 Verifying : texlive-marvosym-11:svn29349.2.2a-69.fc39.noarch 552/689 Verifying : texlive-mathpazo-11:svn52663-69.fc39.noarch 553/689 Verifying : texlive-mathspec-11:svn42773-69.fc39.noarch 554/689 Verifying : texlive-mathtools-11:svn63767-69.fc39.noarch 555/689 Verifying : texlive-mdwtools-11:svn15878.1.05.4-69.fc39.noar 556/689 Verifying : texlive-memoir-11:svn65040-69.fc39.noarch 557/689 Verifying : texlive-metafont-11:svn66186-77.fc39.s390x 558/689 Verifying : texlive-metalogo-11:svn18611.0.12-69.fc39.noarch 559/689 Verifying : texlive-mflogo-11:svn42428-69.fc39.noarch 560/689 Verifying : texlive-mfnfss-11:svn46036-69.fc39.noarch 561/689 Verifying : texlive-mfware-11:svn66186-77.fc39.s390x 562/689 Verifying : texlive-microtype-11:svn66587-69.fc39.noarch 563/689 Verifying : texlive-minitoc-11:svn61719-69.fc39.noarch 564/689 Verifying : texlive-mnsymbol-11:svn18651.1.4-69.fc39.noarch 565/689 Verifying : texlive-modes-11:svn61719-69.fc39.noarch 566/689 Verifying : texlive-mparhack-11:svn59066-69.fc39.noarch 567/689 Verifying : texlive-mptopdf-11:svn65952-77.fc39.noarch 568/689 Verifying : texlive-ms-11:svn57473-69.fc39.noarch 569/689 Verifying : texlive-multido-11:svn18302.1.42-69.fc39.noarch 570/689 Verifying : texlive-multirow-11:svn58396-69.fc39.noarch 571/689 Verifying : texlive-natbib-11:svn20668.8.31b-69.fc39.noarch 572/689 Verifying : texlive-newfloat-11:svn52906-69.fc39.noarch 573/689 Verifying : texlive-newunicodechar-11:svn47382-69.fc39.noarc 574/689 Verifying : texlive-notoccite-11:svn18129.0-69.fc39.noarch 575/689 Verifying : texlive-ntgclass-11:svn65522-69.fc39.noarch 576/689 Verifying : texlive-oberdiek-11:svn65521-77.fc39.noarch 577/689 Verifying : texlive-pagesel-11:svn56105-69.fc39.noarch 578/689 Verifying : texlive-palatino-11:svn61719-69.fc39.noarch 579/689 Verifying : texlive-paralist-11:svn43021-69.fc39.noarch 580/689 Verifying : texlive-parallel-11:svn15878.0-69.fc39.noarch 581/689 Verifying : texlive-parskip-11:svn58358-69.fc39.noarch 582/689 Verifying : texlive-pdfcol-11:svn64469-69.fc39.noarch 583/689 Verifying : texlive-pdfcolfoot-11:svn65512-69.fc39.noarch 584/689 Verifying : texlive-pdfcolmk-11:svn52912-69.fc39.noarch 585/689 Verifying : texlive-pdfescape-11:svn53082-69.fc39.noarch 586/689 Verifying : texlive-pdflscape-11:svn64851-69.fc39.noarch 587/689 Verifying : texlive-pdfmanagement-testphase-11:svn66532-69.f 588/689 Verifying : texlive-pdfpages-11:svn65319-69.fc39.noarch 589/689 Verifying : texlive-pdftex-11:svn66243-77.fc39.s390x 590/689 Verifying : texlive-pdftexcmds-11:svn55777-69.fc39.noarch 591/689 Verifying : texlive-pgf-11:svn65553-69.fc39.noarch 592/689 Verifying : texlive-picture-11:svn54867-69.fc39.noarch 593/689 Verifying : texlive-placeins-11:svn19848.2.2-69.fc39.noarch 594/689 Verifying : texlive-plain-11:svn57963-69.fc39.noarch 595/689 Verifying : texlive-polyglossia-11:svn65792-69.fc39.noarch 596/689 Verifying : texlive-psfrag-11:svn15878.3.04-69.fc39.noarch 597/689 Verifying : texlive-pslatex-11:svn57434-69.fc39.noarch 598/689 Verifying : texlive-psnfss-11:svn54694-69.fc39.noarch 599/689 Verifying : texlive-pspicture-11:svn15878.0-69.fc39.noarch 600/689 Verifying : texlive-pst-3d-11:svn17257.1.10-69.fc39.noarch 601/689 Verifying : texlive-pst-coil-11:svn62977-69.fc39.noarch 602/689 Verifying : texlive-pst-eps-11:svn15878.1.0-69.fc39.noarch 603/689 Verifying : texlive-pst-fill-11:svn60671-69.fc39.noarch 604/689 Verifying : texlive-pst-grad-11:svn15878.1.06-69.fc39.noarch 605/689 Verifying : texlive-pst-math-11:svn64732-69.fc39.noarch 606/689 Verifying : texlive-pst-node-11:svn61838-69.fc39.noarch 607/689 Verifying : texlive-pst-ovl-11:svn54963-69.fc39.noarch 608/689 Verifying : texlive-pst-plot-11:svn65346-69.fc39.noarch 609/689 Verifying : texlive-pst-text-11:svn49542-69.fc39.noarch 610/689 Verifying : texlive-pst-tools-11:svn60621-69.fc39.noarch 611/689 Verifying : texlive-pst-tree-11:svn60421-69.fc39.noarch 612/689 Verifying : texlive-pstricks-add-11:svn65067-69.fc39.noarch 613/689 Verifying : texlive-pstricks-11:svn65346-69.fc39.noarch 614/689 Verifying : texlive-ragged2e-11:svn66152-69.fc39.noarch 615/689 Verifying : texlive-rcs-11:svn15878.0-69.fc39.noarch 616/689 Verifying : texlive-realscripts-11:svn56594-69.fc39.noarch 617/689 Verifying : texlive-refcount-11:svn53164-69.fc39.noarch 618/689 Verifying : texlive-rerunfilecheck-11:svn63869-69.fc39.noarc 619/689 Verifying : texlive-rsfs-11:svn15878.0-69.fc39.noarch 620/689 Verifying : texlive-sansmath-11:svn17997.1.1-69.fc39.noarch 621/689 Verifying : texlive-sansmathaccent-11:svn53628-69.fc39.noarc 622/689 Verifying : texlive-sauerj-11:svn15878.0-69.fc39.noarch 623/689 Verifying : texlive-section-11:svn20180.0-69.fc39.noarch 624/689 Verifying : texlive-sectsty-11:svn15878.2.0.2-69.fc39.noarch 625/689 Verifying : texlive-seminar-11:svn59801-69.fc39.noarch 626/689 Verifying : texlive-sepnum-11:svn20186.2.0-69.fc39.noarch 627/689 Verifying : texlive-setspace-11:svn65206-69.fc39.noarch 628/689 Verifying : texlive-showexpl-11:svn57414-69.fc39.noarch 629/689 Verifying : texlive-stackengine-11:svn60019-69.fc39.noarch 630/689 Verifying : texlive-stringenc-11:svn52982-69.fc39.noarch 631/689 Verifying : texlive-subfig-11:svn15878.1.3-69.fc39.noarch 632/689 Verifying : texlive-symbol-11:svn61719-69.fc39.noarch 633/689 Verifying : texlive-tex-ini-files-11:svn40533-69.fc39.noarch 634/689 Verifying : texlive-tex-11:svn66186-77.fc39.s390x 635/689 Verifying : texlive-texlive-common-doc-11:svn54176-69.fc39.n 636/689 Verifying : texlive-texlive-en-11:svn66572-77.fc39.noarch 637/689 Verifying : texlive-texlive-msg-translations-11:svn66593-69. 638/689 Verifying : texlive-texlive-scripts-11:svn66584-77.fc39.noar 639/689 Verifying : texlive-texlive.infra-11:svn66512-77.fc39.noarch 640/689 Verifying : texlive-textcase-11:svn63868-69.fc39.noarch 641/689 Verifying : texlive-thumbpdf-11:svn62518-77.fc39.noarch 642/689 Verifying : texlive-times-11:svn61719-69.fc39.noarch 643/689 Verifying : texlive-tipa-11:svn29349.1.3-69.fc39.noarch 644/689 Verifying : texlive-titlesec-11:svn59845-69.fc39.noarch 645/689 Verifying : texlive-tocloft-11:svn53364-69.fc39.noarch 646/689 Verifying : texlive-tools-11:svn64892-69.fc39.noarch 647/689 Verifying : texlive-translator-11:svn59412-69.fc39.noarch 648/689 Verifying : texlive-transparent-11:svn64852-69.fc39.noarch 649/689 Verifying : texlive-typehtml-11:svn17134.0-69.fc39.noarch 650/689 Verifying : texlive-ucharcat-11:svn38907-69.fc39.noarch 651/689 Verifying : texlive-ucs-11:svn64114-69.fc39.noarch 652/689 Verifying : texlive-ulem-11:svn53365-69.fc39.noarch 653/689 Verifying : texlive-underscore-11:svn18261.0-69.fc39.noarch 654/689 Verifying : texlive-unicode-data-11:svn64423-69.fc39.noarch 655/689 Verifying : texlive-unicode-math-11:svn61719-69.fc39.noarch 656/689 Verifying : texlive-uniquecounter-11:svn53162-69.fc39.noarch 657/689 Verifying : texlive-url-11:svn32528.3.4-69.fc39.noarch 658/689 Verifying : texlive-utopia-11:svn15878.0-69.fc39.noarch 659/689 Verifying : texlive-varwidth-11:svn24104.0.92-69.fc39.noarch 660/689 Verifying : texlive-wasy-11:svn53533-69.fc39.noarch 661/689 Verifying : texlive-wasysym-11:svn54080-69.fc39.noarch 662/689 Verifying : texlive-xcolor-11:svn63563-69.fc39.noarch 663/689 Verifying : texlive-xdvi-11:svn62387-77.fc39.s390x 664/689 Verifying : texlive-xetex-11:svn66203-77.fc39.s390x 665/689 Verifying : texlive-xetexconfig-11:svn45845-69.fc39.noarch 666/689 Verifying : texlive-xifthen-11:svn38929-69.fc39.noarch 667/689 Verifying : texlive-xkeyval-11:svn63616-69.fc39.noarch 668/689 Verifying : texlive-xltxtra-11:svn56594-69.fc39.noarch 669/689 Verifying : texlive-xpatch-11:svn54563-69.fc39.noarch 670/689 Verifying : texlive-xstring-11:svn65551-69.fc39.noarch 671/689 Verifying : texlive-xunicode-11:svn30466.0.981-69.fc39.noarc 672/689 Verifying : texlive-zapfding-11:svn61719-69.fc39.noarch 673/689 Verifying : texlive-zref-11:svn62977-69.fc39.noarch 674/689 Verifying : urw-base35-bookman-fonts-20200910-18.fc39.noarch 675/689 Verifying : urw-base35-c059-fonts-20200910-18.fc39.noarch 676/689 Verifying : urw-base35-d050000l-fonts-20200910-18.fc39.noarc 677/689 Verifying : urw-base35-fonts-20200910-18.fc39.noarch 678/689 Verifying : urw-base35-fonts-common-20200910-18.fc39.noarch 679/689 Verifying : urw-base35-gothic-fonts-20200910-18.fc39.noarch 680/689 Verifying : urw-base35-nimbus-mono-ps-fonts-20200910-18.fc39 681/689 Verifying : urw-base35-nimbus-roman-fonts-20200910-18.fc39.n 682/689 Verifying : urw-base35-nimbus-sans-fonts-20200910-18.fc39.no 683/689 Verifying : urw-base35-p052-fonts-20200910-18.fc39.noarch 684/689 Verifying : urw-base35-standard-symbols-ps-fonts-20200910-18 685/689 Verifying : urw-base35-z003-fonts-20200910-18.fc39.noarch 686/689 Verifying : vim-filesystem-2:9.0.1882-1.fc40.noarch 687/689 Verifying : xml-common-0.6.3-61.fc39.noarch 688/689 Verifying : xpdf-libs-1:4.04-10.fc39.s390x 689/689 Installed: abattis-cantarell-vf-fonts-0.301-10.fc39.noarch adobe-mappings-cmap-20230622-1.fc39.noarch adobe-mappings-cmap-deprecated-20230622-1.fc39.noarch adobe-mappings-pdf-20190401-5.fc39.noarch annobin-docs-12.26-1.fc40.noarch annobin-plugin-gcc-12.26-1.fc40.s390x avahi-libs-0.8-24.fc39.s390x biber-2.19-3.fc39.noarch cairo-1.17.8-5.fc40.s390x cairo-gobject-1.17.8-5.fc40.s390x chrpath-0.16-21.fc39.s390x clang-libs-17.0.0~rc4-1.fc40.s390x clang-resource-filesystem-17.0.0~rc4-1.fc40.s390x cmake-3.27.4-8.fc40.s390x cmake-data-3.27.4-8.fc40.noarch cmake-filesystem-3.27.4-8.fc40.s390x cmake-rpm-macros-3.27.4-8.fc40.noarch cpp-13.2.1-1.fc40.s390x crypto-policies-scripts-20230731-1.git5ed06e0.fc39.noarch cups-libs-1:2.4.6-6.fc40.s390x dbus-libs-1:1.14.10-1.fc40.s390x default-fonts-core-sans-4.0-9.fc40.noarch doxygen-2:1.9.8-1.fc40.s390x emacs-filesystem-1:29.1-1.fc39.noarch expat-2.5.0-3.fc39.s390x flexiblas-3.3.1-5.fc39.s390x flexiblas-netlib-3.3.1-5.fc39.s390x flexiblas-openblas-openmp-3.3.1-5.fc39.s390x fontconfig-2.14.2-5.fc40.s390x fonts-filesystem-1:2.0.5-12.fc39.noarch freetype-2.13.1-2.fc40.s390x fribidi-1.0.13-2.fc39.s390x gc-8.2.2-4.fc39.s390x gcc-13.2.1-1.fc40.s390x gcc-c++-13.2.1-1.fc40.s390x gcc-plugin-annobin-13.2.1-1.fc40.s390x gd-2.3.3-12.fc39.s390x gdk-pixbuf2-2.42.10-5.fc39.s390x ghostscript-10.01.2-3.fc39.s390x ghostscript-tools-fonts-10.01.2-3.fc39.s390x ghostscript-tools-printing-10.01.2-3.fc39.s390x glib2-2.78.0-2.fc40.s390x glibc-devel-2.38.9000-8.fc40.s390x glibc-headers-s390-2.38.9000-8.fc40.noarch gnutls-3.8.1-1.fc40.s390x google-droid-sans-fonts-20200215-17.fc40.noarch google-noto-fonts-common-20230801-3.fc40.noarch google-noto-sans-vf-fonts-20230801-3.fc40.noarch graphite2-1.3.14-12.fc39.s390x graphviz-8.1.0-6.fc40.s390x groff-base-1.23.0-2.fc39.s390x gts-0.7.6-46.20121130.fc39.s390x guile22-2.2.7-9.fc39.s390x harfbuzz-8.2.0-1.fc40.s390x highway-1.0.7-1.fc40.s390x jbig2dec-libs-0.19-10.fc39.s390x jbigkit-libs-2.1-26.fc39.s390x jsoncpp-1.9.5-5.fc39.s390x kernel-headers-6.6.0-0.rc1.git0.1.fc40.s390x lasi-1.1.3-11.fc39.s390x lcms2-2.15-2.fc40.s390x libICE-1.0.10-12.fc40.s390x libSM-1.2.3-14.fc40.s390x libX11-1.8.6-3.fc40.s390x libX11-common-1.8.6-3.fc40.noarch libXau-1.0.11-4.fc40.s390x libXaw-1.0.14-6.fc40.s390x libXext-1.3.5-3.fc39.s390x libXft-2.3.8-4.fc40.s390x libXi-1.8.1-3.fc40.s390x libXmu-1.1.4-4.fc40.s390x libXpm-3.5.15-5.fc40.s390x libXrender-0.9.11-4.fc40.s390x libXt-1.2.1-6.fc40.s390x libaom-3.7.0-1.fc40.s390x libasan-13.2.1-1.fc40.s390x libatomic-13.2.1-1.fc40.s390x libavif-0.11.1-11.fc39.s390x libb2-0.98.1-9.fc39.s390x libdatrie-0.2.13-7.fc39.s390x libdav1d-1.2.1-2.fc39.s390x libedit-3.1-48.20230828cvs.fc40.s390x libgfortran-13.2.1-1.fc40.s390x libgs-10.01.2-3.fc39.s390x libicu-73.2-2.fc39.s390x libijs-0.35-19.fc39.s390x libimagequant-4.0.1-5.fc39.s390x libjpeg-turbo-2.1.4-3.fc39.s390x libjxl-1:0.8.2-3.fc40.s390x liblerc-4.0.0-4.fc39.s390x libmpc-1.3.1-3.fc39.s390x libpaper-1:2.1.1-1.fc39.s390x libpng-2:1.6.37-15.fc39.s390x librsvg2-2.56.92-1.fc40.s390x libstdc++-devel-13.2.1-1.fc40.s390x libthai-0.1.29-6.fc39.s390x libtiff-4.4.0-8.fc40.s390x libtool-ltdl-2.4.7-8.fc40.s390x libubsan-13.2.1-1.fc40.s390x libuv-1:1.46.0-2.fc39.s390x libwebp-1.3.1-3.fc40.s390x libxcb-1.13.1-12.fc39.s390x libxcrypt-devel-4.4.36-2.fc39.s390x libxslt-1.1.38-3.fc39.s390x llvm-libs-17.0.0~rc4-1.fc40.s390x mailcap-2.1.54-2.fc39.noarch make-1:4.4.1-2.fc39.s390x maloc-1.5-28.fc39.s390x maloc-devel-1.5-28.fc39.s390x mpdecimal-2.5.1-7.fc39.s390x ncurses-6.4-7.20230520.fc40.s390x netpbm-11.02.00-2.fc39.s390x nettle-3.9.1-2.fc39.s390x nspr-4.35.0-13.fc40.s390x nss-3.93.0-2.fc40.s390x nss-softokn-3.93.0-2.fc40.s390x nss-softokn-freebl-3.93.0-2.fc40.s390x nss-sysinit-3.93.0-2.fc40.s390x nss-util-3.93.0-2.fc40.s390x openblas-0.3.21-6.fc39.s390x openblas-openmp-0.3.21-6.fc39.s390x openjpeg2-2.5.0-4.fc39.s390x pango-1.51.0-1.fc40.s390x perl-Authen-SASL-2.1700-1.fc40.noarch perl-AutoLoader-5.74-500.fc39.noarch perl-B-1.88-500.fc39.s390x perl-B-Hooks-EndOfScope-0.26-7.fc39.noarch perl-Business-ISBN-3.008-2.fc39.noarch perl-Business-ISBN-Data-20230907.001-1.fc40.noarch perl-Business-ISMN-1.203-2.fc39.noarch perl-Business-ISSN-1.005-8.fc39.noarch perl-Carp-1.54-500.fc39.noarch perl-Class-Accessor-0.51-18.fc39.noarch perl-Class-Data-Inheritable-0.09-6.fc39.noarch perl-Class-Inspector-1.36-14.fc39.noarch perl-Class-Method-Modifiers-2.15-2.fc39.noarch perl-Class-Singleton-1.6-9.fc39.noarch perl-Class-Struct-0.68-500.fc39.noarch perl-Clone-0.46-4.fc39.s390x perl-Compress-Raw-Bzip2-2.206-1.fc39.s390x perl-Compress-Raw-Zlib-2.206-1.fc40.s390x perl-Convert-ASN1-0.34-1.fc40.noarch perl-Data-Compare-1.29-2.fc39.noarch perl-Data-Dump-1.25-8.fc39.noarch perl-Data-Dumper-2.188-501.fc39.s390x perl-Data-OptList-0.114-2.fc39.noarch perl-Data-Uniqid-0.12-31.fc39.noarch perl-Date-ISO8601-0.005-18.fc39.noarch perl-Date-Manip-6.92-2.fc39.noarch perl-DateTime-2:1.59-5.fc39.s390x perl-DateTime-Calendar-Julian-0.107-5.fc39.noarch perl-DateTime-Format-Builder-0.8300-11.fc39.noarch perl-DateTime-Format-Strptime-1:1.79-8.fc39.noarch perl-DateTime-Locale-1.39-2.fc39.noarch perl-DateTime-TimeZone-2.60-4.fc39.noarch perl-DateTime-TimeZone-SystemV-0.010-19.fc39.noarch perl-DateTime-TimeZone-Tzfile-0.011-19.fc39.noarch perl-Devel-CallChecker-0.009-3.fc39.s390x perl-Devel-Caller-2.07-3.fc39.s390x perl-Devel-GlobalDestruction-0.14-22.fc39.noarch perl-Devel-LexAlias-0.05-34.fc39.s390x perl-Devel-StackTrace-1:2.04-16.fc39.noarch perl-Digest-1.20-500.fc39.noarch perl-Digest-HMAC-1.04-8.fc39.noarch perl-Digest-MD5-2.58-500.fc39.s390x perl-Digest-SHA-1:6.04-501.fc39.s390x perl-Dist-CheckConflicts-0.11-28.fc39.noarch perl-DynaLoader-1.54-500.fc39.s390x perl-DynaLoader-Functions-0.004-2.fc39.noarch perl-Email-Date-Format-1.008-2.fc39.noarch perl-Encode-4:3.19-500.fc39.s390x perl-Encode-Locale-1.05-27.fc39.noarch perl-English-1.11-500.fc39.noarch perl-Errno-1.37-500.fc39.s390x perl-Eval-Closure-0.14-21.fc39.noarch perl-Exception-Class-1.45-8.fc39.noarch perl-Exporter-5.77-500.fc39.noarch perl-ExtUtils-MM-Utils-2:7.70-501.fc39.noarch perl-Fcntl-1.15-500.fc39.s390x perl-File-Basename-2.86-500.fc39.noarch perl-File-Compare-1.100.700-500.fc39.noarch perl-File-Copy-2.41-500.fc39.noarch perl-File-Find-1.43-500.fc39.noarch perl-File-Find-Rule-0.34-26.fc39.noarch perl-File-Listing-6.16-1.fc39.noarch perl-File-Path-2.18-500.fc39.noarch perl-File-ShareDir-1.118-9.fc39.noarch perl-File-Slurper-0.014-3.fc39.noarch perl-File-Temp-1:0.231.100-500.fc39.noarch perl-File-stat-1.13-500.fc39.noarch perl-FileHandle-2.05-500.fc39.noarch perl-Filter-2:1.64-501.fc39.s390x perl-GSSAPI-0.28-43.fc39.s390x perl-Getopt-Long-1:2.54-500.fc39.noarch perl-Getopt-Std-1.13-500.fc39.noarch perl-HTML-Parser-3.81-3.fc39.s390x perl-HTML-Tagset-3.20-55.fc40.noarch perl-HTTP-Cookies-6.10-10.fc39.noarch perl-HTTP-Date-6.06-2.fc39.noarch perl-HTTP-Message-6.44-3.fc39.noarch perl-HTTP-Negotiate-6.01-36.fc39.noarch perl-HTTP-Tiny-0.088-3.fc39.noarch perl-Hash-Util-FieldHash-1.26-500.fc39.s390x perl-I18N-LangTags-0.45-500.fc39.noarch perl-I18N-Langinfo-0.22-500.fc39.s390x perl-IO-1.52-500.fc39.s390x perl-IO-Compress-2.206-1.fc39.noarch perl-IO-HTML-1.004-11.fc39.noarch perl-IO-Socket-IP-0.42-1.fc39.noarch perl-IO-Socket-SSL-2.083-3.fc39.noarch perl-IO-String-1.08-48.fc39.noarch perl-IPC-Cmd-2:1.04-501.fc39.noarch perl-IPC-Open3-1.22-500.fc39.noarch perl-IPC-Run3-0.048-29.fc39.noarch perl-IPC-SysV-2.09-501.fc39.s390x perl-IPC-System-Simple-1.30-11.fc39.noarch perl-JSON-4.10-3.fc39.noarch perl-LDAP-1:0.68-11.fc39.noarch perl-LWP-MediaTypes-6.04-15.fc39.noarch perl-LWP-Protocol-https-6.11-1.fc39.noarch perl-Lingua-Translit-0.29-4.fc39.noarch perl-List-AllUtils-0.19-10.fc39.noarch perl-List-SomeUtils-0.59-3.fc39.noarch perl-List-UtilsBy-0.12-7.fc39.noarch perl-Locale-Maketext-1.33-501.fc39.noarch perl-Locale-Maketext-Simple-1:0.21-500.fc39.noarch perl-Log-Dispatch-2.71-2.fc39.noarch perl-Log-Dispatch-FileRotate-1.38-7.fc39.noarch perl-Log-Log4perl-1.57-3.fc39.noarch perl-MIME-Base64-3.16-500.fc39.s390x perl-MIME-Charset-1.013.1-3.fc39.noarch perl-MIME-Lite-3.033-8.fc39.noarch perl-MIME-Types-2.24-3.fc39.noarch perl-MRO-Compat-0.15-7.fc39.noarch perl-Mail-Sender-1:0.903-22.fc39.noarch perl-Mail-Sendmail-0.80-18.fc39.noarch perl-MailTools-2.21-14.fc39.noarch perl-Math-BigInt-1:1.9998.39-2.fc39.noarch perl-Math-BigRat-0.2624-500.fc39.noarch perl-Math-Complex-1.62-500.fc39.noarch perl-Module-CoreList-1:5.20230820-1.fc40.noarch perl-Module-Implementation-0.09-37.fc39.noarch perl-Module-Load-1:0.36-500.fc39.noarch perl-Module-Load-Conditional-0.74-500.fc39.noarch perl-Module-Metadata-1.000038-3.fc39.noarch perl-Module-Runtime-0.016-20.fc39.noarch perl-Mozilla-CA-20230821-1.fc40.noarch perl-NTLM-1.09-36.fc39.noarch perl-Net-HTTP-6.23-2.fc39.noarch perl-Net-SMTP-SSL-1.04-22.fc40.noarch perl-Net-SSLeay-1.92-10.fc39.s390x perl-Number-Compare-0.03-36.fc39.noarch perl-Opcode-1.64-500.fc39.s390x perl-POSIX-2.13-500.fc39.s390x perl-Package-Generator-1.106-29.fc39.noarch perl-Package-Stash-0.40-5.fc39.noarch perl-Package-Stash-XS-0.30-5.fc39.s390x perl-PadWalker-2.5-10.fc39.s390x perl-Params-Check-1:0.38-500.fc39.noarch perl-Params-Classify-0.015-20.fc39.s390x perl-Params-Util-1.102-12.fc39.s390x perl-Params-Validate-1.31-5.fc39.s390x perl-Params-ValidationCompiler-0.31-3.fc39.noarch perl-Parse-RecDescent-1.967015-20.fc39.noarch perl-PathTools-3.89-500.fc39.s390x perl-Pod-Escapes-1:1.07-501.fc40.noarch perl-Pod-Html-1.34-500.fc39.noarch perl-Pod-Perldoc-3.28.01-501.fc39.noarch perl-Pod-Simple-1:3.45-4.fc39.noarch perl-Pod-Usage-4:2.03-500.fc39.noarch perl-Ref-Util-0.204-18.fc39.noarch perl-Ref-Util-XS-0.117-20.fc39.s390x perl-Regexp-Common-2017060201-22.fc39.noarch perl-Role-Tiny-2.002004-9.fc39.noarch perl-Safe-2.44-500.fc39.noarch perl-Scalar-List-Utils-5:1.63-500.fc39.s390x perl-SelectSaver-1.02-500.fc39.noarch perl-Socket-4:2.037-3.fc39.s390x perl-Sort-Key-1.33-28.fc39.s390x perl-Specio-0.48-4.fc39.noarch perl-Storable-1:3.32-500.fc39.s390x perl-Sub-Exporter-0.990-1.fc39.noarch perl-Sub-Exporter-Progressive-0.001013-22.fc39.noarch perl-Sub-Identify-0.14-24.fc39.s390x perl-Sub-Install-0.929-3.fc39.noarch perl-Symbol-1.09-500.fc39.noarch perl-Sys-Hostname-1.25-500.fc39.s390x perl-Sys-Syslog-0.36-501.fc39.s390x perl-Term-ANSIColor-5.01-501.fc39.noarch perl-Term-Cap-1.18-500.fc39.noarch perl-Text-Balanced-2.06-500.fc39.noarch perl-Text-BibTeX-0.89-3.fc39.s390x perl-Text-CSV-2.03-1.fc40.noarch perl-Text-Glob-0.11-21.fc39.noarch perl-Text-ParseWords-3.31-500.fc39.noarch perl-Text-Roman-3.5-25.fc39.noarch perl-Text-Soundex-3.05-28.fc39.s390x perl-Text-Tabs+Wrap-2023.0511-3.fc39.noarch perl-Text-Unidecode-1.30-22.fc39.noarch perl-Tie-4.6-500.fc39.noarch perl-Tie-Cycle-1.227-9.fc39.noarch perl-Tie-RefHash-1.40-500.fc39.noarch perl-Time-HiRes-4:1.9775-500.fc39.s390x perl-Time-Local-2:1.350-3.fc39.noarch perl-TimeDate-1:2.33-11.fc39.noarch perl-Try-Tiny-0.31-6.fc39.noarch perl-URI-5.21-1.fc40.noarch perl-Unicode-Collate-1.31-500.fc39.s390x perl-Unicode-LineBreak-2019.001-18.fc39.s390x perl-Unicode-Normalize-1.32-500.fc39.s390x perl-Unicode-UCD-0.78-500.fc39.noarch perl-Variable-Magic-0.63-4.fc39.s390x perl-WWW-RobotRules-6.02-37.fc39.noarch perl-XML-LibXML-1:2.0209-2.fc39.s390x perl-XML-LibXML-Simple-1.01-12.fc39.noarch perl-XML-LibXSLT-2.002.001-3.fc39.s390x perl-XML-NamespaceSupport-1.12-20.fc39.noarch perl-XML-Parser-2.46-15.fc39.s390x perl-XML-SAX-1.02-13.fc39.noarch perl-XML-SAX-Base-1.09-20.fc39.noarch perl-XML-Writer-0.900-12.fc39.noarch perl-XML-XPath-1.48-4.fc39.noarch perl-XString-0.005-10.fc39.s390x perl-autodie-2.36-501.fc39.noarch perl-autovivification-0.18-20.fc39.s390x perl-base-2.27-500.fc39.noarch perl-constant-1.33-501.fc39.noarch perl-deprecate-0.04-500.fc39.noarch perl-encoding-4:3.00-500.fc39.s390x perl-if-0.61.000-500.fc39.noarch perl-interpreter-4:5.38.0-500.fc39.s390x perl-libnet-3.15-501.fc39.noarch perl-libs-4:5.38.0-500.fc39.s390x perl-libwww-perl-6.72-1.fc39.noarch perl-locale-1.10-500.fc39.noarch perl-meta-notation-5.38.0-500.fc39.noarch perl-mro-1.28-500.fc39.s390x perl-namespace-autoclean-0.29-16.fc39.noarch perl-namespace-clean-0.27-24.fc39.noarch perl-open-1.13-500.fc39.noarch perl-overload-1.37-500.fc39.noarch perl-overloading-0.02-500.fc39.noarch perl-parent-1:0.241-500.fc39.noarch perl-podlators-1:5.01-500.fc39.noarch perl-sigtrap-1.10-500.fc39.noarch perl-subs-1.04-500.fc39.noarch perl-vars-1.05-500.fc39.noarch perl-version-8:0.99.30-1.fc40.s390x perltidy-20230912-1.fc40.noarch pixman-0.42.2-2.fc39.s390x poppler-23.08.0-1.fc39.s390x poppler-data-0.4.11-5.fc39.noarch poppler-glib-23.08.0-1.fc39.s390x pyproject-rpm-macros-1.9.0-2.fc39.noarch python-pip-wheel-23.2.1-1.fc39.noarch python-rpm-macros-3.12-4.fc40.noarch python3-3.12.0~rc2-1.fc40.s390x python3-babel-2.12.1-4.fc39~bootstrap.noarch python3-charset-normalizer-3.2.0-2.fc39.noarch python3-devel-3.12.0~rc2-1.fc40.s390x python3-docutils-0.20.1-1.fc40.noarch python3-idna-3.4-5.fc40.noarch python3-imagesize-1.4.1-5.fc40.noarch python3-jinja2-3.1.2-6.fc40.noarch python3-libs-3.12.0~rc2-1.fc40.s390x python3-markupsafe-2.1.3-2.fc39.s390x python3-numpy-1:1.24.4-2.fc39.s390x python3-packaging-23.1-5.fc40.noarch python3-pygments-2.16.1-1.fc40.noarch python3-pysocks-1.7.1-20.fc39.noarch python3-requests-2.28.2-6.fc40.noarch python3-rpm-generators-14-7.fc39.noarch python3-rpm-macros-3.12-4.fc40.noarch python3-snowballstemmer-2.2.0-7.fc39.noarch python3-sphinx-1:7.1.2-1.fc40.noarch python3-sphinx-theme-alabaster-0.7.12-19.fc39.noarch python3-sphinxcontrib-applehelp-1.0.6-1.fc40.noarch python3-sphinxcontrib-devhelp-1.0.2-14.fc39.noarch python3-sphinxcontrib-htmlhelp-2.0.3-1.fc40.noarch python3-sphinxcontrib-jsmath-1.0.1-22.fc39.noarch python3-sphinxcontrib-qthelp-1.0.3-15.fc39.noarch python3-sphinxcontrib-serializinghtml-1.1.5-10.fc39.noarch python3-urllib3-1.26.16-3.fc40.noarch python3-urllib3+socks-1.26.16-3.fc40.noarch rav1e-libs-0.6.6-2.fc39.s390x rhash-1.4.3-3.fc39.s390x rsvg-pixbuf-loader-2.56.92-1.fc40.s390x shared-mime-info-2.2-4.fc39.s390x sombok-2.4.0-20.fc39.s390x svt-av1-libs-1.4.1-3.fc39.s390x swig-4.1.1-9.fc39.s390x teckit-2.5.12-1.fc40.s390x texlive-adjustbox-11:svn64967-69.fc39.noarch texlive-ae-11:svn15878.1.4-69.fc39.noarch texlive-algorithms-11:svn42428-69.fc39.noarch texlive-alphalph-11:svn53087-69.fc39.noarch texlive-amscls-11:svn55378-69.fc39.noarch texlive-amsfonts-11:svn61937-69.fc39.noarch texlive-amsmath-11:svn63514-69.fc39.noarch texlive-anysize-11:svn15878.0-69.fc39.noarch texlive-atbegshi-11:svn53051-69.fc39.noarch texlive-attachfile-11:svn42099-69.fc39.noarch texlive-attachfile2-11:svn57959-77.fc39.noarch texlive-atveryend-11:svn53108-69.fc39.noarch texlive-auto-pst-pdf-11:svn56596-69.fc39.noarch texlive-auxhook-11:svn53173-69.fc39.noarch texlive-avantgar-11:svn61983-69.fc39.noarch texlive-babel-11:svn65823-69.fc39.noarch texlive-babel-english-11:svn44495-69.fc39.noarch texlive-babelbib-11:svn57349-69.fc39.noarch texlive-base-11:20230311-77.fc39.s390x texlive-beamer-11:svn65984-69.fc39.noarch texlive-bera-11:svn20031.0-69.fc39.noarch texlive-beton-11:svn15878.0-69.fc39.noarch texlive-biblatex-11:svn66403-69.fc39.noarch texlive-bibtex-11:svn66186-77.fc39.s390x texlive-bidi-11:svn65572-69.fc39.noarch texlive-bigintcalc-11:svn53172-69.fc39.noarch texlive-bitset-11:svn53837-69.fc39.noarch texlive-bookman-11:svn61719-69.fc39.noarch texlive-bookmark-11:svn56885-69.fc39.noarch texlive-booktabs-11:svn53402-69.fc39.noarch texlive-breakurl-11:svn29901.1.40-69.fc39.noarch texlive-breqn-11:svn60881-69.fc39.noarch texlive-caption-11:svn66580-69.fc39.noarch texlive-carlisle-11:svn59577-69.fc39.noarch texlive-catchfile-11:svn53084-69.fc39.noarch texlive-changepage-11:svn15878.1.0c-69.fc39.noarch texlive-charter-11:svn15878.0-69.fc39.noarch texlive-cite-11:svn36428.5.5-69.fc39.noarch texlive-cm-11:svn57963-69.fc39.noarch texlive-cm-super-11:svn15878.0-69.fc39.noarch texlive-cmap-11:svn57640-69.fc39.noarch texlive-collectbox-11:svn64967-69.fc39.noarch texlive-collection-basic-11:svn59159-69.fc39.noarch texlive-collection-latex-11:svn63515-69.fc39.noarch texlive-collection-latexrecommended-11:svn65512-69.fc39.noarch texlive-colorprofiles-11:svn49086-69.fc39.noarch texlive-colortbl-11:svn64015-69.fc39.noarch texlive-courier-11:svn61719-69.fc39.noarch texlive-crop-11:svn55424-69.fc39.noarch texlive-csquotes-11:svn64389-69.fc39.noarch texlive-ctable-11:svn38672-69.fc39.noarch texlive-ctablestack-11:svn38514-69.fc39.noarch texlive-currfile-11:svn64673-69.fc39.noarch texlive-dehyph-11:svn48599-69.fc39.noarch texlive-dvipdfmx-11:svn66203-77.fc39.s390x texlive-dvips-11:svn66203-77.fc39.s390x texlive-ec-11:svn25033.1.0-69.fc39.noarch texlive-enctex-11:svn34957.0-69.fc39.noarch texlive-enumitem-11:svn51423-69.fc39.noarch texlive-epstopdf-11:svn66461-77.fc39.noarch texlive-epstopdf-pkg-11:svn53546-69.fc39.noarch texlive-eso-pic-11:svn56658-69.fc39.noarch texlive-etex-11:svn66203-69.fc39.noarch texlive-etex-pkg-11:svn41784-69.fc39.noarch texlive-etexcmds-11:svn53171-69.fc39.noarch texlive-etoc-11:svn66299-69.fc39.noarch texlive-etoolbox-11:svn56554-69.fc39.noarch texlive-euenc-11:svn19795.0.1h-69.fc39.noarch texlive-euler-11:svn42428-69.fc39.noarch texlive-everysel-11:svn57489-69.fc39.noarch texlive-everyshi-11:svn57001-69.fc39.noarch texlive-extsizes-11:svn17263.1.4a-69.fc39.noarch texlive-fancybox-11:svn18304.1.4-69.fc39.noarch texlive-fancyhdr-11:svn64977-69.fc39.noarch texlive-fancyref-11:svn15878.0.9c-69.fc39.noarch texlive-fancyvrb-11:svn65585-69.fc39.noarch texlive-filecontents-11:svn52142-69.fc39.noarch texlive-filehook-11:svn64822-69.fc39.noarch texlive-finstrut-11:svn21719.0.5-69.fc39.noarch texlive-firstaid-11:svn64892-69.fc39.noarch texlive-fix2col-11:svn38770-69.fc39.noarch texlive-float-11:svn15878.1.3d-69.fc39.noarch texlive-fontspec-11:svn63386-69.fc39.noarch texlive-footmisc-11:svn62524-69.fc39.noarch texlive-footnotehyper-11:svn60374-69.fc39.noarch texlive-fp-11:svn49719-69.fc39.noarch texlive-fpl-11:svn54512-69.fc39.noarch texlive-geometry-11:svn61719-69.fc39.noarch texlive-gettitlestring-11:svn53170-69.fc39.noarch texlive-glyphlist-11:svn54074-77.fc39.noarch texlive-graphics-11:svn66204-69.fc39.noarch texlive-graphics-cfg-11:svn41448-69.fc39.noarch texlive-graphics-def-11:svn64487-69.fc39.noarch texlive-grfext-11:svn53024-69.fc39.noarch texlive-grffile-11:svn52756-69.fc39.noarch texlive-gsftopk-11:svn52851-77.fc39.s390x texlive-hanging-11:svn15878.1.2b-69.fc39.noarch texlive-helvetic-11:svn61719-69.fc39.noarch texlive-hobsub-11:svn52810-69.fc39.noarch texlive-hologo-11:svn61719-69.fc39.noarch texlive-hopatch-11:svn65491-69.fc39.noarch texlive-hycolor-11:svn53584-69.fc39.noarch texlive-hypdoc-11:svn65678-69.fc39.noarch texlive-hyperref-11:svn65758-69.fc39.noarch texlive-hyph-utf8-11:svn61719-69.fc39.noarch texlive-hyphen-base-11:svn66413-69.fc39.noarch texlive-hyphenex-11:svn57387-69.fc39.noarch texlive-ifmtarg-11:svn47544-69.fc39.noarch texlive-ifoddpage-11:svn64967-69.fc39.noarch texlive-ifplatform-11:svn45533-69.fc39.noarch texlive-iftex-11:svn61910-69.fc39.noarch texlive-index-11:svn24099.4.1beta-69.fc39.noarch texlive-infwarerr-11:svn53023-69.fc39.noarch texlive-intcalc-11:svn53168-69.fc39.noarch texlive-jknapltx-11:svn19440.0-69.fc39.noarch texlive-kastrup-11:svn15878.0-69.fc39.noarch texlive-knuth-lib-11:svn57963-69.fc39.noarch texlive-knuth-local-11:svn57963-69.fc39.noarch texlive-koma-script-11:svn64685-69.fc39.noarch texlive-kpathsea-11:svn66209-77.fc39.s390x texlive-kvdefinekeys-11:svn53193-69.fc39.noarch texlive-kvoptions-11:svn63622-69.fc39.noarch texlive-kvsetkeys-11:svn64632-69.fc39.noarch texlive-l3backend-11:svn65573-69.fc39.noarch texlive-l3experimental-11:svn65621-69.fc39.noarch texlive-l3kernel-11:svn66094-69.fc39.noarch texlive-l3packages-11:svn65722-69.fc39.noarch texlive-latex-11:svn65161-77.fc39.noarch texlive-latex-fonts-11:svn28888.0-69.fc39.noarch texlive-latex-lab-11:svn64892-69.fc39.noarch texlive-latexbug-11:svn63596-69.fc39.noarch texlive-latexconfig-11:svn53525-69.fc39.noarch texlive-letltxmacro-11:svn53022-69.fc39.noarch texlive-lib-11:20230311-77.fc39.s390x texlive-lineno-11:svn65586-69.fc39.noarch texlive-listings-11:svn66222-69.fc39.noarch texlive-listofitems-11:svn51923-69.fc39.noarch texlive-lm-11:svn65956-69.fc39.noarch texlive-lm-math-11:svn36915.1.959-69.fc39.noarch texlive-logreq-11:svn53003-69.fc39.noarch texlive-ltabptch-11:svn17533.1.74d-69.fc39.noarch texlive-ltxcmds-11:svn56421-69.fc39.noarch texlive-ltxmisc-11:svn21927.0-69.fc39.noarch texlive-lua-alt-getopt-11:svn56414-69.fc39.noarch texlive-lua-uni-algos-11:svn62204-69.fc39.noarch texlive-luabidi-11:svn54512-69.fc39.noarch texlive-luahbtex-11:svn66186-77.fc39.s390x texlive-lualatex-math-11:svn61464-69.fc39.noarch texlive-lualibs-11:svn64615-69.fc39.noarch texlive-luaotfload-11:svn64616-77.fc39.noarch texlive-luatex-11:svn66967-77.fc39.s390x texlive-luatexbase-11:svn52663-69.fc39.noarch texlive-lwarp-11:svn66259-77.fc39.noarch texlive-makecmds-11:svn15878.0-69.fc39.noarch texlive-makeindex-11:svn62517-77.fc39.s390x texlive-marginnote-11:svn48383-69.fc39.noarch texlive-marvosym-11:svn29349.2.2a-69.fc39.noarch texlive-mathpazo-11:svn52663-69.fc39.noarch texlive-mathspec-11:svn42773-69.fc39.noarch texlive-mathtools-11:svn63767-69.fc39.noarch texlive-mdwtools-11:svn15878.1.05.4-69.fc39.noarch texlive-memoir-11:svn65040-69.fc39.noarch texlive-metafont-11:svn66186-77.fc39.s390x texlive-metalogo-11:svn18611.0.12-69.fc39.noarch texlive-mflogo-11:svn42428-69.fc39.noarch texlive-mfnfss-11:svn46036-69.fc39.noarch texlive-mfware-11:svn66186-77.fc39.s390x texlive-microtype-11:svn66587-69.fc39.noarch texlive-minitoc-11:svn61719-69.fc39.noarch texlive-mnsymbol-11:svn18651.1.4-69.fc39.noarch texlive-modes-11:svn61719-69.fc39.noarch texlive-mparhack-11:svn59066-69.fc39.noarch texlive-mptopdf-11:svn65952-77.fc39.noarch texlive-ms-11:svn57473-69.fc39.noarch texlive-multido-11:svn18302.1.42-69.fc39.noarch texlive-multirow-11:svn58396-69.fc39.noarch texlive-natbib-11:svn20668.8.31b-69.fc39.noarch texlive-newfloat-11:svn52906-69.fc39.noarch texlive-newunicodechar-11:svn47382-69.fc39.noarch texlive-notoccite-11:svn18129.0-69.fc39.noarch texlive-ntgclass-11:svn65522-69.fc39.noarch texlive-oberdiek-11:svn65521-77.fc39.noarch texlive-pagesel-11:svn56105-69.fc39.noarch texlive-palatino-11:svn61719-69.fc39.noarch texlive-paralist-11:svn43021-69.fc39.noarch texlive-parallel-11:svn15878.0-69.fc39.noarch texlive-parskip-11:svn58358-69.fc39.noarch texlive-pdfcol-11:svn64469-69.fc39.noarch texlive-pdfcolfoot-11:svn65512-69.fc39.noarch texlive-pdfcolmk-11:svn52912-69.fc39.noarch texlive-pdfescape-11:svn53082-69.fc39.noarch texlive-pdflscape-11:svn64851-69.fc39.noarch texlive-pdfmanagement-testphase-11:svn66532-69.fc39.noarch texlive-pdfpages-11:svn65319-69.fc39.noarch texlive-pdftex-11:svn66243-77.fc39.s390x texlive-pdftexcmds-11:svn55777-69.fc39.noarch texlive-pgf-11:svn65553-69.fc39.noarch texlive-picture-11:svn54867-69.fc39.noarch texlive-placeins-11:svn19848.2.2-69.fc39.noarch texlive-plain-11:svn57963-69.fc39.noarch texlive-polyglossia-11:svn65792-69.fc39.noarch texlive-psfrag-11:svn15878.3.04-69.fc39.noarch texlive-pslatex-11:svn57434-69.fc39.noarch texlive-psnfss-11:svn54694-69.fc39.noarch texlive-pspicture-11:svn15878.0-69.fc39.noarch texlive-pst-3d-11:svn17257.1.10-69.fc39.noarch texlive-pst-coil-11:svn62977-69.fc39.noarch texlive-pst-eps-11:svn15878.1.0-69.fc39.noarch texlive-pst-fill-11:svn60671-69.fc39.noarch texlive-pst-grad-11:svn15878.1.06-69.fc39.noarch texlive-pst-math-11:svn64732-69.fc39.noarch texlive-pst-node-11:svn61838-69.fc39.noarch texlive-pst-ovl-11:svn54963-69.fc39.noarch texlive-pst-plot-11:svn65346-69.fc39.noarch texlive-pst-text-11:svn49542-69.fc39.noarch texlive-pst-tools-11:svn60621-69.fc39.noarch texlive-pst-tree-11:svn60421-69.fc39.noarch texlive-pstricks-11:svn65346-69.fc39.noarch texlive-pstricks-add-11:svn65067-69.fc39.noarch texlive-ragged2e-11:svn66152-69.fc39.noarch texlive-rcs-11:svn15878.0-69.fc39.noarch texlive-realscripts-11:svn56594-69.fc39.noarch texlive-refcount-11:svn53164-69.fc39.noarch texlive-rerunfilecheck-11:svn63869-69.fc39.noarch texlive-rsfs-11:svn15878.0-69.fc39.noarch texlive-sansmath-11:svn17997.1.1-69.fc39.noarch texlive-sansmathaccent-11:svn53628-69.fc39.noarch texlive-sauerj-11:svn15878.0-69.fc39.noarch texlive-section-11:svn20180.0-69.fc39.noarch texlive-sectsty-11:svn15878.2.0.2-69.fc39.noarch texlive-seminar-11:svn59801-69.fc39.noarch texlive-sepnum-11:svn20186.2.0-69.fc39.noarch texlive-setspace-11:svn65206-69.fc39.noarch texlive-showexpl-11:svn57414-69.fc39.noarch texlive-stackengine-11:svn60019-69.fc39.noarch texlive-stringenc-11:svn52982-69.fc39.noarch texlive-subfig-11:svn15878.1.3-69.fc39.noarch texlive-symbol-11:svn61719-69.fc39.noarch texlive-tex-11:svn66186-77.fc39.s390x texlive-tex-ini-files-11:svn40533-69.fc39.noarch texlive-texlive-common-doc-11:svn54176-69.fc39.noarch texlive-texlive-en-11:svn66572-77.fc39.noarch texlive-texlive-msg-translations-11:svn66593-69.fc39.noarch texlive-texlive-scripts-11:svn66584-77.fc39.noarch texlive-texlive.infra-11:svn66512-77.fc39.noarch texlive-textcase-11:svn63868-69.fc39.noarch texlive-thumbpdf-11:svn62518-77.fc39.noarch texlive-times-11:svn61719-69.fc39.noarch texlive-tipa-11:svn29349.1.3-69.fc39.noarch texlive-titlesec-11:svn59845-69.fc39.noarch texlive-tocloft-11:svn53364-69.fc39.noarch texlive-tools-11:svn64892-69.fc39.noarch texlive-translator-11:svn59412-69.fc39.noarch texlive-transparent-11:svn64852-69.fc39.noarch texlive-typehtml-11:svn17134.0-69.fc39.noarch texlive-ucharcat-11:svn38907-69.fc39.noarch texlive-ucs-11:svn64114-69.fc39.noarch texlive-ulem-11:svn53365-69.fc39.noarch texlive-underscore-11:svn18261.0-69.fc39.noarch texlive-unicode-data-11:svn64423-69.fc39.noarch texlive-unicode-math-11:svn61719-69.fc39.noarch texlive-uniquecounter-11:svn53162-69.fc39.noarch texlive-url-11:svn32528.3.4-69.fc39.noarch texlive-utopia-11:svn15878.0-69.fc39.noarch texlive-varwidth-11:svn24104.0.92-69.fc39.noarch texlive-wasy-11:svn53533-69.fc39.noarch texlive-wasysym-11:svn54080-69.fc39.noarch texlive-xcolor-11:svn63563-69.fc39.noarch texlive-xdvi-11:svn62387-77.fc39.s390x texlive-xetex-11:svn66203-77.fc39.s390x texlive-xetexconfig-11:svn45845-69.fc39.noarch texlive-xifthen-11:svn38929-69.fc39.noarch texlive-xkeyval-11:svn63616-69.fc39.noarch texlive-xltxtra-11:svn56594-69.fc39.noarch texlive-xpatch-11:svn54563-69.fc39.noarch texlive-xstring-11:svn65551-69.fc39.noarch texlive-xunicode-11:svn30466.0.981-69.fc39.noarch texlive-zapfding-11:svn61719-69.fc39.noarch texlive-zref-11:svn62977-69.fc39.noarch urw-base35-bookman-fonts-20200910-18.fc39.noarch urw-base35-c059-fonts-20200910-18.fc39.noarch urw-base35-d050000l-fonts-20200910-18.fc39.noarch urw-base35-fonts-20200910-18.fc39.noarch urw-base35-fonts-common-20200910-18.fc39.noarch urw-base35-gothic-fonts-20200910-18.fc39.noarch urw-base35-nimbus-mono-ps-fonts-20200910-18.fc39.noarch urw-base35-nimbus-roman-fonts-20200910-18.fc39.noarch urw-base35-nimbus-sans-fonts-20200910-18.fc39.noarch urw-base35-p052-fonts-20200910-18.fc39.noarch urw-base35-standard-symbols-ps-fonts-20200910-18.fc39.noarch urw-base35-z003-fonts-20200910-18.fc39.noarch vim-filesystem-2:9.0.1882-1.fc40.noarch xapian-core-libs-1.4.23-1.fc40.s390x xml-common-0.6.3-61.fc39.noarch xpdf-libs-1:4.04-10.fc39.s390x zlib-ng-compat-devel-2.1.3-3.fc40.s390x zziplib-0.13.72-5.fc40.s390x Complete! Finish: build setup for apbs-3.0.0-20.fc40.src.rpm Start: rpmbuild apbs-3.0.0-20.fc40.src.rpm warning: %patchN is deprecated (4 usages found), use %patch N (or %patch -P N) Building target platforms: s390x Building for target s390x setting SOURCE_DATE_EPOCH=1689724800 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.QJFBtx + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf apbs-3.0.0 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/apbs-3.0.0.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd apbs-3.0.0 + rm -rf /builddir/build/BUILD/apbs-3.0.0-SPECPARTS + /usr/bin/mkdir -p /builddir/build/BUILD/apbs-3.0.0-SPECPARTS + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . Patch #0 (apbs-cmake.patch): + echo 'Patch #0 (apbs-cmake.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p2 -b --suffix .apbs-cmake --fuzz=0 patching file CMakeLists.txt patching file src/CMakeLists.txt patching file tools/manip/CMakeLists.txt patching file tools/mesh/CMakeLists.txt Patch #1 (apbs-exclude_tests.patch): + echo 'Patch #1 (apbs-exclude_tests.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .exclude_tests --fuzz=0 patching file tests/test_cases.cfg Patch #2 (apbs-python311.patch): + echo 'Patch #2 (apbs-python311.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .python311 --fuzz=0 patching file tools/manip/inputgen.py Patch #3 (apbs-c99.patch): + echo 'Patch #3 (apbs-c99.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 --fuzz=0 patching file contrib/iapbs/src/apbs_driver.c + cp -p contrib/iapbs/COPYING contrib/iapbs/iapbs-COPYING + cp -p /builddir/build/SOURCES/apbs-LGPL_V2 contrib/iapbs/iapbs-LGPLv2 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.iENHrG + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd apbs-3.0.0 + export 'CFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -fopenmp -lm' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -fopenmp -lm' + export 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -fopenmp -lm' + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -fopenmp -lm' + mkdir -p build + cmake -S . -B build -DCMAKE_BUILD_TYPE:STRING=Release -DENABLE_iAPBS:BOOL=ON -DENABLE_OPENMP:BOOL=ON -DENABLE_VERBOSE_DEBUG:BOOL=OFF -DENABLE_FETK:BOOL=OFF '-DCMAKE_C_FLAGS:STRING=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -fopenmp -lm -DNDEBUG' '-DCMAKE_CXX_FLAGS:STRING=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -fopenmp -lm -DNDEBUG' -DBUILD_SHARED_LIBS:BOOL=OFF -DENABLE_PYTHON:BOOL=ON -DBUILD_DOC:BOOL=ON -DBUILD_TESTING:BOOL=ON -DENABLE_TESTS:BOOL=ON -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSHARE_INSTALL_PREFIX:PATH=/usr/share CMake Deprecation Warning at CMakeLists.txt:11 (cmake_policy): The OLD behavior for policy CMP0054 will be removed from a future version of CMake. The cmake-policies(7) manual explains that the OLD behaviors of all policies are deprecated and that a policy should be set to OLD only under specific short-term circumstances. Projects should be ported to the NEW behavior and not rely on setting a policy to OLD. -- The C compiler identification is GNU 13.2.1 -- The CXX compiler identification is GNU 13.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Setting project paths -- Setting lookup paths for headers and libraries -- Computing machine epsilon values -- Floating point epsilon is 2.220446e-16 -- Double precision epsilon is 2.220446e-16 -- Looking for time -- Looking for time - found -- Looking for rand -- Looking for rand - found -- Looking for srand -- Looking for srand - found -- Inline functions enabled -- Checking for OpenMP -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- OpenMP support enabled CMake Deprecation Warning at src/CMakeLists.txt:1 (cmake_minimum_required): Compatibility with CMake < 3.5 will be removed from a future version of CMake. Update the VERSION argument value or use a ... suffix to tell CMake that the project does not need compatibility with older versions. -- Adding apbs_generic -- With source files nosh.c;mgparm.c;femparm.c;pbamparm.c;pbsamparm.c;pbeparm.c;bemparm.c;geoflowparm.c;apolparm.c;vacc.c;valist.c;vatom.c;vpbe.c;vcap.c;vclist.c;vstring.c;vparam.c;vgreen.c -- With external header files nosh.h;mgparm.h;femparm.h;pbamparm.h;pbsamparm.h;pbeparm.h;bemparm.h;geoflowparm.h;apolparm.h;vacc.h;valist.h;vatom.h;vpbe.h;vcap.h;vclist.h;vstring.h;vparam.h;vgreen.h;vmatrix.h;vhal.h;vunit.h -- With internal header files -- With library dependencies m;stdc++;maloc;-fopenmp -- Added apbs_generic -- Adding apbs_pmgc -- With source files buildAd.c;buildBd.c;buildGd.c;buildPd.c;cgd.c;gsd.c;matvecd.c;mgcsd.c;mgdrvd.c;mgsubd.c;mikpckd.c;mlinpckd.c;mypdec.c;newtond.c;newdrvd.c;powerd.c;smoothd.c;mgfasd.c -- With external header files buildAd.h;buildBd.h;buildGd.h;buildPd.h;cgd.h;gsd.h;matvecd.h;mgcsd.h;mgdrvd.h;mgsubd.h;mikpckd.h;mlinpckd.h;mypdec.h;newtond.h;newdrvd.h;powerd.h;smoothd.h;mgfasd.h -- With internal header files -- With library dependencies m;stdc++;maloc;-fopenmp -- Added apbs_pmgc -- Adding apbs_mg -- With source files vgrid.c;vmgrid.c;vopot.c;vpmg.c;vpmgp.c -- With external header files vgrid.h;vmgrid.h;vopot.h;vpmg.h;vpmgp.h -- With internal header files -- With library dependencies m;stdc++;maloc;-fopenmp;apbs_generic;apbs_pmgc -- Added apbs_mg -- Adding apbs_routines -- With source files routines.c -- With external header files -- With internal header files -- With library dependencies m;stdc++;maloc;-fopenmp -- Added apbs_routines -- External Headers: -- -- APBS Libraries: m;stdc++;maloc;-fopenmp -- Internal Libraries: apbs_generic;apbs_pmgc;apbs_mg;apbs_routines -- -- -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -fopenmp -lm -DNDEBUG -fPIC -- Building documentation enabled -- Found Doxygen: /usr/bin/doxygen (found version "1.9.8") found components: doxygen dot -- Supplemental tools enabled -- Building mesh -- libraries: apbs -- Building manip -- libraries: apbs CMake Deprecation Warning at tools/python/CMakeLists.txt:2 (CMAKE_POLICY): The OLD behavior for policy CMP0078 will be removed from a future version of CMake. The cmake-policies(7) manual explains that the OLD behaviors of all policies are deprecated and that a policy should be set to OLD only under specific short-term circumstances. Projects should be ported to the NEW behavior and not rely on setting a policy to OLD. CMake Deprecation Warning at tools/python/CMakeLists.txt:3 (CMAKE_POLICY): The OLD behavior for policy CMP0086 will be removed from a future version of CMake. The cmake-policies(7) manual explains that the OLD behaviors of all policies are deprecated and that a policy should be set to OLD only under specific short-term circumstances. Projects should be ported to the NEW behavior and not rely on setting a policy to OLD. -- Found SWIG: /usr/bin/swig (found version "4.1.1") -- Found Python3: /usr/bin/python3.12 (found version "3.12.0") found components: Interpreter Development Development.Module Development.Embed -- ******* Python3 FOUND -- ***** Python3 include path is: /usr/include/python3.12 -- ***** Python3 library path is: /usr/lib64/libpython3.12.so -- ***** Python3 library dir is: /usr/lib64 -- Building of iAPBS interface enabled -- Found Python3: /usr/bin/python3.12 (found version "3.12.0") found components: Interpreter -- ******* Python3 FOUND /usr/bin/python3.12 -- TEST born_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t born -- TEST actin-dimer-auto_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t actin-dimer-auto -- TEST actin-dimer-parallel_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t actin-dimer-parallel -- TEST alkanes_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t alkanes -- TEST FKBP_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t FKBP -- TEST hca-bind_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t hca-bind -- TEST ionize_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t ionize -- TEST ion-pmf_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t ion-pmf -- TEST ion-protein_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t ion-protein -- TEST pka-lig_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t pka-lig -- TEST point-pmf_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t point-pmf -- TEST solv_test COMMAND /usr/bin/python3.12 /builddir/build/BUILD/apbs-3.0.0/tests/apbs_tester.py -c /builddir/build/BUILD/apbs-3.0.0/tests/test_cases.cfg -e /builddir/build/BUILD/apbs-3.0.0/build/apbs -t solv -- Configuring done (2.1s) -- Generating done (0.0s) -- Build files have been written to: /builddir/build/BUILD/apbs-3.0.0/build + make -O -j1 V=1 -C build make: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build' [ 1%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vgrid.c.o /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c: In function ‘Vgrid_readDXBIN’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:816:13: warning: variable ‘isBinary’ set but not used [-Wunused-but-set-variable] 816 | int isBinary = 0; | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:813:25: warning: unused variable ‘itmp’ [-Wunused-variable] 813 | size_t i, j, k, itmp, u; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c: In function ‘Vgrid_writeUHBD’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:1697:36: warning: variable ‘hy’ set but not used [-Wunused-but-set-variable] 1697 | double xmin, ymin, zmin, hzed, hy, hx; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:1697:30: warning: variable ‘hzed’ set but not used [-Wunused-but-set-variable] 1697 | double xmin, ymin, zmin, hzed, hy, hx; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c: In function ‘Vgrid_readDXBIN’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:853:17: warning: ignoring return value of ‘fgets’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 853 | fgets(tok, VMAX_BUFSIZE, fd); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:831:17: warning: argument 1 null where non-null expected [-Wnonnull] 831 | fclose(fd); | ^~~~~~~~~~ In file included from /usr/include/maloc/maloc_base.h:80, from /usr/include/maloc/maloc.h:38, from /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.h:67, from /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:57: /usr/include/stdio.h:183:12: note: in a call to function ‘fclose’ declared ‘nonnull’ 183 | extern int fclose (FILE *__stream) __nonnull ((1)); | ^~~~~~ [ 2%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vmgrid.c.o /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c: In function ‘Vmgrid_addGrid’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:198:12: warning: unused variable ‘tgrad’ [-Wunused-variable] 198 | double tgrad[3]; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:197:15: warning: unused variable ‘rc’ [-Wunused-variable] 197 | int i, j, rc; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:197:12: warning: unused variable ‘j’ [-Wunused-variable] 197 | int i, j, rc; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vmgrid.c:197:9: warning: unused variable ‘i’ [-Wunused-variable] 197 | int i, j, rc; | ^ [ 3%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vopot.c.o /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c: In function ‘Vopot_curvature’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:219:26: warning: variable ‘eps_w’ set but not used [-Wunused-but-set-variable] 219 | double u, T, charge, eps_w, xkappa, dist, size, val, *position, zkappa2; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:219:18: warning: variable ‘charge’ set but not used [-Wunused-but-set-variable] 219 | double u, T, charge, eps_w, xkappa, dist, size, val, *position, zkappa2; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:219:15: warning: variable ‘T’ set but not used [-Wunused-but-set-variable] 219 | double u, T, charge, eps_w, xkappa, dist, size, val, *position, zkappa2; | ^ [ 4%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vpmg.c.o /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_ctor2’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:157:61: warning: variable ‘zkappa2’ set but not used [-Wunused-but-set-variable] 157 | double ionConc[MAXION], ionQ[MAXION], ionRadii[MAXION], zkappa2, zks2; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_qmEnergySMPBE’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1503:12: warning: variable ‘zks2’ set but not used [-Wunused-but-set-variable] 1503 | zks2; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_qfEnergyPoint’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1712:13: warning: variable ‘pvec’ set but not used [-Wunused-but-set-variable] 1712 | double *pvec; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1709:24: warning: variable ‘zmax’ set but not used [-Wunused-but-set-variable] 1709 | double xmax, ymax, zmax, xmin, ymin, zmin, hx, hy, hzed, ifloat, jfloat; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1709:18: warning: variable ‘ymax’ set but not used [-Wunused-but-set-variable] 1709 | double xmax, ymax, zmax, xmin, ymin, zmin, hx, hy, hzed, ifloat, jfloat; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1709:12: warning: variable ‘xmax’ set but not used [-Wunused-but-set-variable] 1709 | double xmax, ymax, zmax, xmin, ymin, zmin, hx, hy, hzed, ifloat, jfloat; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_qfAtomEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1794:36: warning: variable ‘zmax’ set but not used [-Wunused-but-set-variable] 1794 | double xmax, xmin, ymax, ymin, zmax, zmin, hx, hy, hzed, ifloat, jfloat; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1794:24: warning: variable ‘ymax’ set but not used [-Wunused-but-set-variable] 1794 | double xmax, xmin, ymax, ymin, zmax, zmin, hx, hy, hzed, ifloat, jfloat; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1794:12: warning: variable ‘xmax’ set but not used [-Wunused-but-set-variable] 1794 | double xmax, xmin, ymax, ymin, zmax, zmin, hx, hy, hzed, ifloat, jfloat; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘focusFillBound’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1953:12: warning: variable ‘charge’ set but not used [-Wunused-but-set-variable] 1953 | charge, | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1952:13: warning: variable ‘apos’ set but not used [-Wunused-but-set-variable] 1952 | *apos, | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1951:12: warning: variable ‘size’ set but not used [-Wunused-but-set-variable] 1951 | size, | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1950:12: warning: variable ‘xkappa’ set but not used [-Wunused-but-set-variable] 1950 | xkappa, | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcfl2’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2668:40: warning: variable ‘qzy’ set but not used [-Wunused-but-set-variable] 2668 | double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2668:36: warning: variable ‘qzx’ set but not used [-Wunused-but-set-variable] 2668 | double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2668:24: warning: variable ‘qyx’ set but not used [-Wunused-but-set-variable] 2668 | double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcCalcOrig’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2832:34: warning: unused variable ‘debye’ [-Wunused-variable] 2832 | double *dipole, *quadrupole, debye, eps_p; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2832:22: warning: variable ‘quadrupole’ set but not used [-Wunused-but-set-variable] 2832 | double *dipole, *quadrupole, debye, eps_p; | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2832:13: warning: variable ‘dipole’ set but not used [-Wunused-but-set-variable] 2832 | double *dipole, *quadrupole, debye, eps_p; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcflnew’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3415:31: warning: variable ‘eps_p’ set but not used [-Wunused-but-set-variable] 3415 | double dist, pre1, eps_w, eps_p, T, xkappa; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:29: warning: unused variable ‘z1’ [-Wunused-variable] 3410 | int x0, x1, y0, y1, z0, z1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:25: warning: unused variable ‘z0’ [-Wunused-variable] 3410 | int x0, x1, y0, y1, z0, z1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:21: warning: unused variable ‘y1’ [-Wunused-variable] 3410 | int x0, x1, y0, y1, z0, z1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:17: warning: unused variable ‘y0’ [-Wunused-variable] 3410 | int x0, x1, y0, y1, z0, z1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:13: warning: unused variable ‘x1’ [-Wunused-variable] 3410 | int x0, x1, y0, y1, z0, z1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3410:9: warning: unused variable ‘x0’ [-Wunused-variable] 3410 | int x0, x1, y0, y1, z0, z1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3409:13: warning: unused variable ‘k’ [-Wunused-variable] 3409 | int i,j,k, iatom, igrid; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3409:11: warning: unused variable ‘j’ [-Wunused-variable] 3409 | int i,j,k, iatom, igrid; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3409:9: warning: unused variable ‘i’ [-Wunused-variable] 3409 | int i,j,k, iatom, igrid; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘multipolebc’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3492:19: warning: variable ‘kr3’ set but not used [-Wunused-but-set-variable] 3492 | double kr,kr2,kr3; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcfl_sdh’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3608:40: warning: variable ‘qzy’ set but not used [-Wunused-but-set-variable] 3608 | double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3608:36: warning: variable ‘qzx’ set but not used [-Wunused-but-set-variable] 3608 | double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3608:24: warning: variable ‘qyx’ set but not used [-Wunused-but-set-variable] 3608 | double qxx,qxy,qxz,qyx,qyy,qyz,qzx,qzy,qzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3604:22: warning: unused variable ‘quadrupole’ [-Wunused-variable] 3604 | double *dipole, *quadrupole; | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3604:13: warning: unused variable ‘dipole’ [-Wunused-variable] 3604 | double *dipole, *quadrupole; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcfl_mdh’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3875:41: warning: variable ‘eps_p’ set but not used [-Wunused-but-set-variable] 3875 | double size, charge, xkappa, eps_w, eps_p, T, pre1, dist; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3874:22: warning: unused variable ‘quadrupole’ [-Wunused-variable] 3874 | double *dipole, *quadrupole; | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3874:13: warning: unused variable ‘dipole’ [-Wunused-variable] 3874 | double *dipole, *quadrupole; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcfl_mem’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4008:24: warning: unused variable ‘edge_L’ [-Wunused-variable] 4008 | double A, B, C, D, edge_L, l; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4007:38: warning: unused variable ‘z_shift’ [-Wunused-variable] 4007 | double dist, val, z_low, z_high, z_shift; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4007:12: warning: unused variable ‘dist’ [-Wunused-variable] 4007 | double dist, val, z_low, z_high, z_shift; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcfl_map’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4177:38: warning: variable ‘hzed’ set but not used [-Wunused-but-set-variable] 4177 | double position[3], pot, hx, hy, hzed; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4177:34: warning: variable ‘hy’ set but not used [-Wunused-but-set-variable] 4177 | double position[3], pot, hx, hy, hzed; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4177:30: warning: variable ‘hx’ set but not used [-Wunused-but-set-variable] 4177 | double position[3], pot, hx, hy, hzed; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4176:11: warning: unused variable ‘pbe’ [-Wunused-variable] 4176 | Vpbe *pbe; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoCoefMap’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4492:46: warning: unused variable ‘pot’ [-Wunused-variable] 4492 | double ionstr, position[3], tkappa, eps, pot, hx, hy, hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoCoefMolIon’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4638:16: warning: variable ‘surfMeth’ set but not used [-Wunused-but-set-variable] 4638 | Vsurf_Meth surfMeth; | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4630:11: warning: variable ‘acc’ set but not used [-Wunused-but-set-variable] 4630 | Vacc *acc; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoCoefMolDielNoSmooth’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4746:30: warning: unused variable ‘deps’ [-Wunused-variable] 4746 | double srad, epsw, epsp, deps, area; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoCoefSpline’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5031:47: warning: variable ‘rtot2’ set but not used [-Wunused-but-set-variable] 5031 | double dx2, dy2, dz2, stot2, itot2, rtot, rtot2, splineWin, w3i; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoCharge’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5289:15: warning: unused variable ‘rc’ [-Wunused-variable] 5289 | Vrc_Codes rc; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoChargeMap’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5346:49: warning: variable ‘hzed’ set but not used [-Wunused-but-set-variable] 5346 | double position[3], charge, zmagic, hx, hy, hzed; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5346:45: warning: variable ‘hy’ set but not used [-Wunused-but-set-variable] 5346 | double position[3], charge, zmagic, hx, hy, hzed; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5346:41: warning: variable ‘hx’ set but not used [-Wunused-but-set-variable] 5346 | double position[3], charge, zmagic, hx, hy, hzed; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_force’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5829:12: warning: unused variable ‘npF’ [-Wunused-variable] 5829 | double npF[3]; /* Non-polar boundary force */ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_ibForce’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5854:24: warning: variable ‘zlen’ set but not used [-Wunused-but-set-variable] 5854 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5854:18: warning: variable ‘ylen’ set but not used [-Wunused-but-set-variable] 5854 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5854:12: warning: variable ‘xlen’ set but not used [-Wunused-but-set-variable] 5854 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:5848:13: warning: variable ‘alist’ set but not used [-Wunused-but-set-variable] 5848 | Valist *alist; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_dbForce’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6019:55: warning: variable ‘kT’ set but not used [-Wunused-but-set-variable] 6019 | double rtot, dx, gpos[3], tgrad[3], dbFmag, epsw, kT; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6019:18: warning: variable ‘dx’ set but not used [-Wunused-but-set-variable] 6019 | double rtot, dx, gpos[3], tgrad[3], dbFmag, epsw, kT; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:66: warning: variable ‘rtot2’ set but not used [-Wunused-but-set-variable] 6018 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:24: warning: variable ‘zlen’ set but not used [-Wunused-but-set-variable] 6018 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:18: warning: variable ‘ylen’ set but not used [-Wunused-but-set-variable] 6018 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6018:12: warning: variable ‘xlen’ set but not used [-Wunused-but-set-variable] 6018 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax, rtot2, epsp; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘qfForceSpline2’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6453:24: warning: variable ‘zlen’ set but not used [-Wunused-but-set-variable] 6453 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6453:18: warning: variable ‘ylen’ set but not used [-Wunused-but-set-variable] 6453 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6453:12: warning: variable ‘xlen’ set but not used [-Wunused-but-set-variable] 6453 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘qfForceSpline4’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6576:15: warning: unused variable ‘k’ [-Wunused-variable] 6576 | int i, j, k, ii, jj, kk; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6576:12: warning: unused variable ‘j’ [-Wunused-variable] 6576 | int i, j, k, ii, jj, kk; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6568:24: warning: variable ‘zlen’ set but not used [-Wunused-but-set-variable] 6568 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6568:18: warning: variable ‘ylen’ set but not used [-Wunused-but-set-variable] 6568 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6568:12: warning: variable ‘xlen’ set but not used [-Wunused-but-set-variable] 6568 | double xlen, ylen, zlen, xmin, ymin, zmin, xmax, ymax, zmax; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘markFrac’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6692:39: warning: variable ‘a000’ set but not used [-Wunused-but-set-variable] 6692 | double dx, dx2, dy, dy2, dz, dz2, a000, a001, a010, a100, r2; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘zlapSolve’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6912:12: warning: unused variable ‘norm’ [-Wunused-variable] 6912 | double norm, coef, proj, eigx, eigy, eigz; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘Vpmg_solveLaplace’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7044:35: warning: variable ‘n’ set but not used [-Wunused-but-set-variable] 7044 | int i, j, k, ijk, nx, ny, nz, n, dilo, dihi, djlo, djhi, dklo, dkhi; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7044:18: warning: unused variable ‘ijk’ [-Wunused-variable] 7044 | int i, j, k, ijk, nx, ny, nz, n, dilo, dihi, djlo, djhi, dklo, dkhi; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoPermanentMultipole’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:58: warning: unused variable ‘mqzz’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:53: warning: unused variable ‘mqzy’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:48: warning: unused variable ‘mqzx’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:43: warning: unused variable ‘mqyy’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:38: warning: unused variable ‘mqyx’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:33: warning: unused variable ‘mqxx’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:29: warning: unused variable ‘muz’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:25: warning: unused variable ‘muy’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:21: warning: unused variable ‘mux’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:18: warning: unused variable ‘mc’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7263:12: warning: unused variable ‘debye’ [-Wunused-variable] 7263 | double debye,mc,mux,muy,muz,mqxx,mqyx,mqyy,mqzx,mqzy,mqzz; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:24: warning: unused variable ‘mr2’ [-Wunused-variable] 7262 | double mir,mjr,mkr,mr2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:20: warning: unused variable ‘mkr’ [-Wunused-variable] 7262 | double mir,mjr,mkr,mr2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:16: warning: unused variable ‘mjr’ [-Wunused-variable] 7262 | double mir,mjr,mkr,mr2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7262:12: warning: unused variable ‘mir’ [-Wunused-variable] 7262 | double mir,mjr,mkr,mr2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7258:9: warning: unused variable ‘i’ [-Wunused-variable] 7258 | int i, ii, jj, kk, nx, ny, nz, iatom; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7253:47: warning: unused variable ‘qave’ [-Wunused-variable] 7253 | double c,ux,uy,uz,qxx,qyx,qyy,qzx,qzy,qzz,qave; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7252:29: warning: unused variable ‘quad’ [-Wunused-variable] 7252 | double charge, *dipole,*quad; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7252:21: warning: unused variable ‘dipole’ [-Wunused-variable] 7252 | double charge, *dipole,*quad; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoCoefSpline4’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:9948:47: warning: variable ‘rtot2’ set but not used [-Wunused-but-set-variable] 9948 | double dx2, dy2, dz2, stot2, itot2, rtot, rtot2, splineWin; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:9946:42: warning: unused variable ‘w2i’ [-Wunused-variable] 9946 | double irad, dx, dy, dz, epsw, epsp, w2i; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoPermanentInduced’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10278:9: warning: unused variable ‘i’ [-Wunused-variable] 10278 | int i, ii, jj, kk, nx, ny, nz, iatom; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10273:47: warning: unused variable ‘qave’ [-Wunused-variable] 10273 | double c,ux,uy,uz,qxx,qyx,qyy,qzx,qzy,qzz,qave; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10272:29: warning: unused variable ‘quad’ [-Wunused-variable] 10272 | double charge, *dipole,*quad; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10272:21: warning: unused variable ‘dipole’ [-Wunused-variable] 10272 | double charge, *dipole,*quad; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘fillcoCoefSpline3’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10441:27: warning: variable ‘e5’ set but not used [-Wunused-but-set-variable] 10441 | double e, e2, e3, e4, e5; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10439:47: warning: variable ‘rtot2’ set but not used [-Wunused-but-set-variable] 10439 | double dx2, dy2, dz2, stot2, itot2, rtot, rtot2, splineWin; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10437:42: warning: unused variable ‘w2i’ [-Wunused-variable] 10437 | double irad, dx, dy, dz, epsw, epsp, w2i; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcolcomp’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:55: warning: variable ‘mxlv’ set but not used [-Wunused-but-set-variable] 10746 | int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:47: warning: unused variable ‘maxlev’ [-Wunused-variable] 10746 | int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:39: warning: unused variable ‘ierror’ [-Wunused-variable] 10746 | int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:15: warning: variable ‘niwk’ set but not used [-Wunused-but-set-variable] 10746 | int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10746:9: warning: variable ‘nrwk’ set but not used [-Wunused-but-set-variable] 10746 | int nrwk, niwk, nx, ny, nz, nlev, ierror, maxlev, mxlv; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:29: warning: unused variable ‘i’ [-Wunused-variable] 10743 | int nrow, ncol, nnzero, i; | ^ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:21: warning: unused variable ‘nnzero’ [-Wunused-variable] 10743 | int nrow, ncol, nnzero, i; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:15: warning: unused variable ‘ncol’ [-Wunused-variable] 10743 | int nrow, ncol, nnzero, i; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10743:9: warning: unused variable ‘nrow’ [-Wunused-variable] 10743 | int nrow, ncol, nnzero, i; | ^~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:93, from /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:73: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcolcomp2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10804:5: note: in expansion of macro ‘MAT2’ 10804 | MAT2(iz, 50, nlev); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcolcomp3’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10836:5: note: in expansion of macro ‘MAT2’ 10836 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c: In function ‘bcolcomp4’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10874:5: note: in expansion of macro ‘MAT3’ 10874 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10873:5: note: in expansion of macro ‘MAT3’ 10873 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10872:5: note: in expansion of macro ‘MAT3’ 10872 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10871:5: note: in expansion of macro ‘MAT3’ 10871 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10870:5: note: in expansion of macro ‘MAT3’ 10870 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10866:27: warning: variable ‘nrow’ set but not used [-Wunused-but-set-variable] 10866 | int inonz, iirow, nn, nrow, ncol, nonz, irow, n; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:7229:16: warning: ‘d3bspline4’ defined but not used [-Wunused-function] 7229 | VPUBLIC double d3bspline4(double x) { | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6684:15: warning: ‘markFrac’ defined but not used [-Wunused-function] 6684 | VPRIVATE void markFrac( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3868:15: warning: ‘bcfl_mdh’ defined but not used [-Wunused-function] 3868 | VPRIVATE void bcfl_mdh(Vpmg *thee){ | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2828:15: warning: ‘bcCalcOrig’ defined but not used [-Wunused-function] 2828 | VPRIVATE void bcCalcOrig(Vpmg *thee) { | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2547:17: warning: ‘bcfl1sp’ defined but not used [-Wunused-function] 2547 | VPRIVATE double bcfl1sp(double size, double *apos, double charge, | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1148:17: warning: ‘Vpmg_polarizEnergy’ defined but not used [-Wunused-function] 1148 | VPRIVATE double Vpmg_polarizEnergy(Vpmg *thee, | ^~~~~~~~~~~~~~~~~~ [ 5%] Building C object src/mg/CMakeFiles/apbs_mg.dir/vpmgp.c.o /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c: In function ‘Vpmgp_size’: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c:204:87: warning: unused variable ‘iretot’ [-Wunused-variable] 204 | int nxf, nyf, nzf, level, num_nf_oper, num_narrc_oper, n_band, nc_band, num_band, iretot; | ^~~~~~ [ 5%] Built target apbs_mg [ 6%] Building C object src/generic/CMakeFiles/apbs_generic.dir/nosh.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function ‘NOsh_setupCalcGEOFLOWMANUAL’: /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2683:15: warning: variable ‘apolparm’ set but not used [-Wunused-but-set-variable] 2683 | APOLparm *apolparm = VNULL; | ^~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:57: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function ‘NOsh_parsePBAM’: /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3139:17: warning: ‘strncpy’ specified bound 1000 equals destination size [-Wstringop-truncation] 3139 | strncpy(parm->dxname, pbeparm->writestem[pbeparm->numwrite -1], CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function ‘NOsh_parsePBSAM’: /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3268:17: warning: ‘strncpy’ specified bound 1000 equals destination size [-Wstringop-truncation] 3268 | strncpy(parm->dxname, pbeparm->writestem[pbeparm->numwrite - 1], CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c: In function ‘NOsh_parseInput’: /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1348:13: warning: ‘strncpy’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 1348 | strncpy(thee->apolname[thee->napol], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1222:13: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 1222 | strncpy(thee->elecname[thee->nelec], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:953:9: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 953 | strncpy(thee->meshpath[thee->nmesh], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:918:5: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 918 | strncpy(thee->chargepath[thee->ncharge], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:872:5: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 872 | strncpy(thee->potpath[thee->npot], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:827:5: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 827 | strncpy(thee->kappapath[thee->nkappa], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:772:5: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 772 | strncpy(thee->dielXpath[thee->ndiel], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:776:5: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 776 | strncpy(thee->dielYpath[thee->ndiel], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:780:5: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 780 | strncpy(thee->dielZpath[thee->ndiel], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:723:13: warning: ‘strncpy’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 723 | strncpy(thee->parmpath, tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:701:13: warning: ‘strncpy’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 701 | strncpy(thee->parmpath, tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:659:9: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 659 | strncpy(thee->molpath[thee->nmol], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:640:9: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 640 | strncpy(thee->molpath[thee->nmol], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:621:9: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 621 | strncpy(thee->molpath[thee->nmol], tok, VMAX_ARGLEN); | ^ [ 8%] Building C object src/generic/CMakeFiles/apbs_generic.dir/mgparm.c.o [ 9%] Building C object src/generic/CMakeFiles/apbs_generic.dir/femparm.c.o [ 10%] Building C object src/generic/CMakeFiles/apbs_generic.dir/pbamparm.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseRandorient’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:305:17: warning: unused variable ‘name’ [-Wunused-variable] 305 | const char* name = "randorient"; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parse3Dmap’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:373:10: warning: unused variable ‘tok’ [-Wunused-variable] 373 | char tok[VMAX_BUFSIZE]; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:372:17: warning: unused variable ‘name’ [-Wunused-variable] 372 | const char* name = "3dmap"; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseRunType’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:282:7: warning: ‘strncpy’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 282 | strncpy(thee->runtype, tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseRunName’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:297:7: warning: ‘strncpy’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 297 | strncpy(thee->runname, tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseUnits’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:344:7: warning: ‘strncpy’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 344 | strncpy(thee->units, tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseTermcombine’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:452:7: warning: ‘strncpy’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 452 | strncpy(thee->termcombine, tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseGrid2D’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:400:7: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 400 | strncpy(thee->grid2Dname[thee->grid2Dct], tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:408:7: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 408 | strncpy(thee->grid2Dax[thee->grid2Dct], tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseXYZ’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:656:8: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 656 | strncpy(thee->xyzfil[mol][thee->xyzct[mol]], tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseDiff’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:500:8: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 500 | strncpy(thee->moveType[molind], tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c: In function ‘PBAMparm_parseTerm’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:563:12: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 563 | strncpy(thee->termnam[thee->termct], tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:573:11: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 573 | strncpy(thee->confil[thee->confilct], tok, CHR_MAXLEN); | ^ [ 11%] Building C object src/generic/CMakeFiles/apbs_generic.dir/pbsamparm.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function ‘PBSAMparm_ctor2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:79:9: warning: unused variable ‘i’ [-Wunused-variable] 79 | int i; | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function ‘PBSAMparm_parseMSMS’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:183:13: warning: unused variable ‘td’ [-Wunused-variable] 183 | int td; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function ‘PBSAMparm_parseSurf’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:174:8: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 174 | strncpy(thee->surffil[thee->surfct], tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function ‘PBSAMparm_parseImat’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:211:8: warning: ‘__strncpy_chk’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 211 | strncpy(thee->imatfil[thee->imatct], tok, CHR_MAXLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c: In function ‘PBSAMparm_parseExp’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.c:226:8: warning: ‘strncpy’ output may be truncated copying 1000 bytes from a string of length 8191 [-Wstringop-truncation] 226 | strncpy(thee->expfil[thee->expct], tok, CHR_MAXLEN); | ^ [ 12%] Building C object src/generic/CMakeFiles/apbs_generic.dir/pbeparm.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c: In function ‘PBEparm_parseWRITE’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1163:9: warning: ‘__strncpy_chk’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 1163 | strncpy(thee->writestem[thee->numwrite], tok, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c: In function ‘PBEparm_parseWRITEMAT’: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1204:5: warning: ‘strncpy’ output may be truncated copying 1024 bytes from a string of length 8191 [-Wstringop-truncation] 1204 | strncpy(thee->writematstem, tok, VMAX_ARGLEN); | ^ [ 13%] Building C object src/generic/CMakeFiles/apbs_generic.dir/bemparm.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c: In function ‘BEMparm_ctor2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:79:9: warning: unused variable ‘i’ [-Wunused-variable] 79 | int i; | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c: In function ‘BEMparm_check’: /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:36: warning: unused variable ‘nlev’ [-Wunused-variable] 127 | int i, tdime[3], ti, tnlev[3], nlev; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:26: warning: unused variable ‘tnlev’ [-Wunused-variable] 127 | int i, tdime[3], ti, tnlev[3], nlev; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:22: warning: unused variable ‘ti’ [-Wunused-variable] 127 | int i, tdime[3], ti, tnlev[3], nlev; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:12: warning: unused variable ‘tdime’ [-Wunused-variable] 127 | int i, tdime[3], ti, tnlev[3], nlev; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:127:9: warning: unused variable ‘i’ [-Wunused-variable] 127 | int i, tdime[3], ti, tnlev[3], nlev; | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c: In function ‘BEMparm_copy’: /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:176:9: warning: unused variable ‘i’ [-Wunused-variable] 176 | int i; | ^ [ 14%] Building C object src/generic/CMakeFiles/apbs_generic.dir/geoflowparm.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c: In function ‘GEOFLOWparm_ctor2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:79:9: warning: unused variable ‘i’ [-Wunused-variable] 79 | int i; | ^ [ 16%] Building C object src/generic/CMakeFiles/apbs_generic.dir/apolparm.c.o [ 17%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vacc.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function ‘VaccSurf_dtor’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:841:11: warning: variable ‘mem’ set but not used [-Wunused-but-set-variable] 841 | Vmem *mem; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function ‘Vacc_splineAccGradAtomNorm3’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1104:27: warning: variable ‘e5’ set but not used [-Wunused-but-set-variable] 1104 | double e, e2, e3, e4, e5; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function ‘Vacc_atomdSASA’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1338:12: warning: variable ‘ts’ set but not used [-Wunused-but-set-variable] 1338 | time_t ts; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1335:15: warning: variable ‘ref’ set but not used [-Wunused-but-set-variable] 1335 | VaccSurf *ref; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function ‘Vacc_totalAtomdSASA’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1395:15: warning: variable ‘ref’ set but not used [-Wunused-but-set-variable] 1395 | VaccSurf *ref; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1392:23: warning: variable ‘tRad’ set but not used [-Wunused-but-set-variable] 1392 | double *temp_Pos, tRad; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1391:9: warning: variable ‘iatom’ set but not used [-Wunused-but-set-variable] 1391 | int iatom; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function ‘Vacc_totalAtomdSAV’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1454:15: warning: variable ‘ref’ set but not used [-Wunused-but-set-variable] 1454 | VaccSurf *ref; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1451:23: warning: variable ‘tRad’ set but not used [-Wunused-but-set-variable] 1451 | double *temp_Pos, tRad; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1450:9: warning: variable ‘iatom’ set but not used [-Wunused-but-set-variable] 1450 | int iatom; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function ‘Vacc_wcaEnergyAtom’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1584:9: warning: variable ‘npts’ set but not used [-Wunused-but-set-variable] 1584 | int npts[3]; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c: In function ‘Vacc_wcaForceAtom’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1807:12: warning: variable ‘ts’ set but not used [-Wunused-but-set-variable] 1807 | time_t ts; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1764:9: warning: variable ‘npts’ set but not used [-Wunused-but-set-variable] 1764 | npts[3], | ^~~~ [ 18%] Building C object src/generic/CMakeFiles/apbs_generic.dir/valist.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c: In function ‘Valist_readPQR’: /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:618:10: warning: unused variable ‘chs’ [-Wunused-variable] 618 | char chs[VMAX_BUFSIZE]; | ^~~ [ 19%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vatom.c.o [ 20%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vpbe.c.o [ 21%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vcap.c.o [ 22%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vclist.c.o [ 24%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vstring.c.o [ 25%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vparam.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c: In function ‘Vparam_readXMLFile’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:412:22: warning: ‘natoms’ may be used uninitialized [-Wmaybe-uninitialized] 412 | for (i=0; ivmem, nalloc, sizeof(Vparam_AtomData), (void **)&(atoms)); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.c:309:26: note: ‘nalloc’ was declared here 309 | int i, ires, natoms, nalloc, ralloc; | ^~~~~~ [ 26%] Building C object src/generic/CMakeFiles/apbs_generic.dir/vgreen.c.o /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function ‘Vgreen_coulomb_direct’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:31: warning: unused variable ‘fz’ [-Wunused-variable] 229 | double *q, qtemp, fx, fy, fz; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:27: warning: unused variable ‘fy’ [-Wunused-variable] 229 | double *q, qtemp, fx, fy, fz; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:23: warning: unused variable ‘fx’ [-Wunused-variable] 229 | double *q, qtemp, fx, fy, fz; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:16: warning: unused variable ‘qtemp’ [-Wunused-variable] 229 | double *q, qtemp, fx, fy, fz; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:229:13: warning: unused variable ‘q’ [-Wunused-variable] 229 | double *q, qtemp, fx, fy, fz; | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function ‘Vgreen_coulomb’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:264:9: warning: unused variable ‘iatom’ [-Wunused-variable] 264 | int iatom, ipos; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:31: warning: unused variable ‘fz’ [-Wunused-variable] 263 | double *q, qtemp, fx, fy, fz; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:27: warning: unused variable ‘fy’ [-Wunused-variable] 263 | double *q, qtemp, fx, fy, fz; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:23: warning: unused variable ‘fx’ [-Wunused-variable] 263 | double *q, qtemp, fx, fy, fz; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:16: warning: unused variable ‘qtemp’ [-Wunused-variable] 263 | double *q, qtemp, fx, fy, fz; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:263:13: warning: unused variable ‘q’ [-Wunused-variable] 263 | double *q, qtemp, fx, fy, fz; | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:45: warning: unused variable ‘scale’ [-Wunused-variable] 262 | double *apos, charge, dist, dx, dy, dz, scale; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:41: warning: unused variable ‘dz’ [-Wunused-variable] 262 | double *apos, charge, dist, dx, dy, dz, scale; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:37: warning: unused variable ‘dy’ [-Wunused-variable] 262 | double *apos, charge, dist, dx, dy, dz, scale; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:33: warning: unused variable ‘dx’ [-Wunused-variable] 262 | double *apos, charge, dist, dx, dy, dz, scale; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:27: warning: unused variable ‘dist’ [-Wunused-variable] 262 | double *apos, charge, dist, dx, dy, dz, scale; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:19: warning: unused variable ‘charge’ [-Wunused-variable] 262 | double *apos, charge, dist, dx, dy, dz, scale; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:262:13: warning: unused variable ‘apos’ [-Wunused-variable] 262 | double *apos, charge, dist, dx, dy, dz, scale; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:261:12: warning: unused variable ‘atom’ [-Wunused-variable] 261 | Vatom *atom; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function ‘Vgreen_coulombD_direct’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:316:16: warning: unused variable ‘qtemp’ [-Wunused-variable] 316 | double *q, qtemp; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:316:13: warning: unused variable ‘q’ [-Wunused-variable] 316 | double *q, qtemp; | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: In function ‘Vgreen_coulombD’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:368:9: warning: unused variable ‘iatom’ [-Wunused-variable] 368 | int iatom, ipos; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:367:16: warning: unused variable ‘qtemp’ [-Wunused-variable] 367 | double *q, qtemp; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:367:13: warning: unused variable ‘q’ [-Wunused-variable] 367 | double *q, qtemp; | ^ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:60: warning: unused variable ‘scale’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:56: warning: unused variable ‘dx’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:52: warning: unused variable ‘dz’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:48: warning: unused variable ‘dy’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:40: warning: unused variable ‘idist3’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:33: warning: unused variable ‘dist2’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:27: warning: unused variable ‘dist’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:19: warning: unused variable ‘charge’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:366:13: warning: unused variable ‘apos’ [-Wunused-variable] 366 | double *apos, charge, dist, dist2, idist3, dy, dz, dx, scale; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:365:12: warning: unused variable ‘atom’ [-Wunused-variable] 365 | Vatom *atom; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:525:14: warning: ‘treecalc’ defined but not used [-Wunused-function] 525 | VPRIVATE int treecalc(Vgreen *thee, double *xtar, double *ytar, double *ztar, | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:505:14: warning: ‘treecleanup’ defined but not used [-Wunused-function] 505 | VPRIVATE int treecleanup(Vgreen *thee) { | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:425:14: warning: ‘treesetup’ defined but not used [-Wunused-function] 425 | VPRIVATE int treesetup(Vgreen *thee) { | ^~~~~~~~~ [ 26%] Built target apbs_generic [ 27%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildAd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c: In function ‘VbuildA’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:66:5: note: in expansion of macro ‘MAT2’ 66 | MAT2(ac, *nx * *ny * *nz, 14); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c: In function ‘VbuildA_fv’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gzcf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:167:5: note: in expansion of macro ‘MAT3’ 167 | MAT3(gzcf, *nx, *ny, 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gycf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:166:5: note: in expansion of macro ‘MAT3’ 166 | MAT3(gycf, *nx, *nz, 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gxcf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:165:5: note: in expansion of macro ‘MAT3’ 165 | MAT3(gxcf, *ny, *nz, 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:164:5: note: in expansion of macro ‘MAT3’ 164 | MAT3( oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:163:5: note: in expansion of macro ‘MAT3’ 163 | MAT3( oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:162:5: note: in expansion of macro ‘MAT3’ 162 | MAT3( uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a3cf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:161:5: note: in expansion of macro ‘MAT3’ 161 | MAT3(a3cf, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a2cf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:160:5: note: in expansion of macro ‘MAT3’ 160 | MAT3(a2cf, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a1cf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:159:5: note: in expansion of macro ‘MAT3’ 159 | MAT3(a1cf, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:158:5: note: in expansion of macro ‘MAT3’ 158 | MAT3( oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_ccf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:157:5: note: in expansion of macro ‘MAT3’ 157 | MAT3( ccf, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:156:5: note: in expansion of macro ‘MAT3’ 156 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fcf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:155:5: note: in expansion of macro ‘MAT3’ 155 | MAT3( fcf, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildAd.c:154:5: note: in expansion of macro ‘MAT3’ 154 | MAT3( fc, *nx, *ny, *nz); | ^~~~ [ 28%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildBd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c: In function ‘Vbuildband’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:65:5: note: in expansion of macro ‘MAT2’ 65 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c: In function ‘Vbuildband1_7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:133:5: note: in expansion of macro ‘MAT3’ 133 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:132:5: note: in expansion of macro ‘MAT3’ 132 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:131:5: note: in expansion of macro ‘MAT3’ 131 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:130:5: note: in expansion of macro ‘MAT3’ 130 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_acB’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:128:5: note: in expansion of macro ‘MAT2’ 128 | MAT2(acB, *lda, *ny-1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c: In function ‘Vbuildband1_27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:213:5: note: in expansion of macro ‘MAT3’ 213 | MAT3(uSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:212:5: note: in expansion of macro ‘MAT3’ 212 | MAT3(uSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:211:5: note: in expansion of macro ‘MAT3’ 211 | MAT3(uNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:210:5: note: in expansion of macro ‘MAT3’ 210 | MAT3(uNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:208:5: note: in expansion of macro ‘MAT3’ 208 | MAT3( uS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:207:5: note: in expansion of macro ‘MAT3’ 207 | MAT3( uN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:206:5: note: in expansion of macro ‘MAT3’ 206 | MAT3( uW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:205:5: note: in expansion of macro ‘MAT3’ 205 | MAT3( uE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:203:5: note: in expansion of macro ‘MAT3’ 203 | MAT3(oNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:202:5: note: in expansion of macro ‘MAT3’ 202 | MAT3(oNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:200:5: note: in expansion of macro ‘MAT3’ 200 | MAT3( uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:199:5: note: in expansion of macro ‘MAT3’ 199 | MAT3( oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:198:5: note: in expansion of macro ‘MAT3’ 198 | MAT3( oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:197:5: note: in expansion of macro ‘MAT3’ 197 | MAT3( oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_acB’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.c:195:5: note: in expansion of macro ‘MAT2’ 195 | MAT2(acB, *lda, *ny-1); | ^~~~ [ 29%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildGd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function ‘VbuildG’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:64:5: note: in expansion of macro ‘MAT2’ 64 | MAT2( ac, *nxc * *nyc * *nzc, 27); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_acFF’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:63:5: note: in expansion of macro ‘MAT2’ 63 | MAT2(acFF, *nxf * *nyf * *nzf, 27); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_pcFF’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:62:5: note: in expansion of macro ‘MAT2’ 62 | MAT2(pcFF, *nxc * *nyc * *nzc, 27); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function ‘VbuildG_1’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:216:5: note: in expansion of macro ‘MAT3’ 216 | MAT3(dPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:215:5: note: in expansion of macro ‘MAT3’ 215 | MAT3(dPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:214:5: note: in expansion of macro ‘MAT3’ 214 | MAT3(dPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:213:5: note: in expansion of macro ‘MAT3’ 213 | MAT3(dPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:212:5: note: in expansion of macro ‘MAT3’ 212 | MAT3( dPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:211:5: note: in expansion of macro ‘MAT3’ 211 | MAT3( dPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:210:5: note: in expansion of macro ‘MAT3’ 210 | MAT3( dPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:209:5: note: in expansion of macro ‘MAT3’ 209 | MAT3( dPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:208:5: note: in expansion of macro ‘MAT3’ 208 | MAT3( dPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:206:5: note: in expansion of macro ‘MAT3’ 206 | MAT3(uPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:205:5: note: in expansion of macro ‘MAT3’ 205 | MAT3(uPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:204:5: note: in expansion of macro ‘MAT3’ 204 | MAT3(uPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:203:5: note: in expansion of macro ‘MAT3’ 203 | MAT3(uPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:202:5: note: in expansion of macro ‘MAT3’ 202 | MAT3( uPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:201:5: note: in expansion of macro ‘MAT3’ 201 | MAT3( uPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:200:5: note: in expansion of macro ‘MAT3’ 200 | MAT3( uPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:199:5: note: in expansion of macro ‘MAT3’ 199 | MAT3( uPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:198:5: note: in expansion of macro ‘MAT3’ 198 | MAT3( uPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:196:5: note: in expansion of macro ‘MAT3’ 196 | MAT3(oPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:195:5: note: in expansion of macro ‘MAT3’ 195 | MAT3(oPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:194:5: note: in expansion of macro ‘MAT3’ 194 | MAT3(oPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:193:5: note: in expansion of macro ‘MAT3’ 193 | MAT3(oPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:192:5: note: in expansion of macro ‘MAT3’ 192 | MAT3( oPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:191:5: note: in expansion of macro ‘MAT3’ 191 | MAT3( oPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:190:5: note: in expansion of macro ‘MAT3’ 190 | MAT3( oPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:189:5: note: in expansion of macro ‘MAT3’ 189 | MAT3( oPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:188:5: note: in expansion of macro ‘MAT3’ 188 | MAT3( oPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:186:5: note: in expansion of macro ‘MAT3’ 186 | MAT3(XuSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:185:5: note: in expansion of macro ‘MAT3’ 185 | MAT3(XuSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:184:5: note: in expansion of macro ‘MAT3’ 184 | MAT3(XuNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:183:5: note: in expansion of macro ‘MAT3’ 183 | MAT3(XuNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:182:5: note: in expansion of macro ‘MAT3’ 182 | MAT3( XuS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:181:5: note: in expansion of macro ‘MAT3’ 181 | MAT3( XuN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:180:5: note: in expansion of macro ‘MAT3’ 180 | MAT3( XuW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:179:5: note: in expansion of macro ‘MAT3’ 179 | MAT3( XuE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:177:5: note: in expansion of macro ‘MAT3’ 177 | MAT3(XoNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:176:5: note: in expansion of macro ‘MAT3’ 176 | MAT3(XoNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:174:5: note: in expansion of macro ‘MAT3’ 174 | MAT3( XuC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:172:5: note: in expansion of macro ‘MAT3’ 172 | MAT3( XoN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:171:5: note: in expansion of macro ‘MAT3’ 171 | MAT3( XoE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:170:5: note: in expansion of macro ‘MAT3’ 170 | MAT3( XoC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:168:5: note: in expansion of macro ‘MAT3’ 168 | MAT3( oC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:164:21: warning: variable ‘nzm1’ set but not used [-Wunused-but-set-variable] 164 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:164:15: warning: variable ‘nym1’ set but not used [-Wunused-but-set-variable] 164 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:164:9: warning: variable ‘nxm1’ set but not used [-Wunused-but-set-variable] 164 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:163:33: warning: variable ‘kkm1’ set but not used [-Wunused-but-set-variable] 163 | int iim1, iip1, jjm1, jjp1, kkm1, kkp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function ‘VbuildG_7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:532:5: note: in expansion of macro ‘MAT3’ 532 | MAT3(dPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:531:5: note: in expansion of macro ‘MAT3’ 531 | MAT3(dPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:530:5: note: in expansion of macro ‘MAT3’ 530 | MAT3(dPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:529:5: note: in expansion of macro ‘MAT3’ 529 | MAT3(dPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:528:5: note: in expansion of macro ‘MAT3’ 528 | MAT3( dPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:527:5: note: in expansion of macro ‘MAT3’ 527 | MAT3( dPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:526:5: note: in expansion of macro ‘MAT3’ 526 | MAT3( dPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:525:5: note: in expansion of macro ‘MAT3’ 525 | MAT3( dPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:524:5: note: in expansion of macro ‘MAT3’ 524 | MAT3( dPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:522:5: note: in expansion of macro ‘MAT3’ 522 | MAT3(uPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:521:5: note: in expansion of macro ‘MAT3’ 521 | MAT3(uPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:520:5: note: in expansion of macro ‘MAT3’ 520 | MAT3(uPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:519:5: note: in expansion of macro ‘MAT3’ 519 | MAT3(uPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:518:5: note: in expansion of macro ‘MAT3’ 518 | MAT3( uPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:517:5: note: in expansion of macro ‘MAT3’ 517 | MAT3( uPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:516:5: note: in expansion of macro ‘MAT3’ 516 | MAT3( uPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:515:5: note: in expansion of macro ‘MAT3’ 515 | MAT3( uPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:514:5: note: in expansion of macro ‘MAT3’ 514 | MAT3( uPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:512:5: note: in expansion of macro ‘MAT3’ 512 | MAT3(oPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:511:5: note: in expansion of macro ‘MAT3’ 511 | MAT3(oPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:510:5: note: in expansion of macro ‘MAT3’ 510 | MAT3(oPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:509:5: note: in expansion of macro ‘MAT3’ 509 | MAT3(oPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:508:5: note: in expansion of macro ‘MAT3’ 508 | MAT3( oPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:507:5: note: in expansion of macro ‘MAT3’ 507 | MAT3( oPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:506:5: note: in expansion of macro ‘MAT3’ 506 | MAT3( oPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:505:5: note: in expansion of macro ‘MAT3’ 505 | MAT3( oPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:504:5: note: in expansion of macro ‘MAT3’ 504 | MAT3( oPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:502:5: note: in expansion of macro ‘MAT3’ 502 | MAT3(XuSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:501:5: note: in expansion of macro ‘MAT3’ 501 | MAT3(XuSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:500:5: note: in expansion of macro ‘MAT3’ 500 | MAT3(XuNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:499:5: note: in expansion of macro ‘MAT3’ 499 | MAT3(XuNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:498:5: note: in expansion of macro ‘MAT3’ 498 | MAT3( XuS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:497:5: note: in expansion of macro ‘MAT3’ 497 | MAT3( XuN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:496:5: note: in expansion of macro ‘MAT3’ 496 | MAT3( XuW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:495:5: note: in expansion of macro ‘MAT3’ 495 | MAT3( XuE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:494:5: note: in expansion of macro ‘MAT3’ 494 | MAT3( XuC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:492:5: note: in expansion of macro ‘MAT3’ 492 | MAT3(XoNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:491:5: note: in expansion of macro ‘MAT3’ 491 | MAT3(XoNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:490:5: note: in expansion of macro ‘MAT3’ 490 | MAT3( XoN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:489:5: note: in expansion of macro ‘MAT3’ 489 | MAT3( XoE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:488:5: note: in expansion of macro ‘MAT3’ 488 | MAT3( XoC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:486:5: note: in expansion of macro ‘MAT3’ 486 | MAT3( uC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:484:5: note: in expansion of macro ‘MAT3’ 484 | MAT3( oN, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:483:5: note: in expansion of macro ‘MAT3’ 483 | MAT3( oE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:482:5: note: in expansion of macro ‘MAT3’ 482 | MAT3( oC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:473:21: warning: variable ‘nzm1’ set but not used [-Wunused-but-set-variable] 473 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:473:15: warning: variable ‘nym1’ set but not used [-Wunused-but-set-variable] 473 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:473:9: warning: variable ‘nxm1’ set but not used [-Wunused-but-set-variable] 473 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:472:9: warning: variable ‘kkm1’ set but not used [-Wunused-but-set-variable] 472 | int kkm1, kkp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:469:28: warning: variable ‘kp2’ set but not used [-Wunused-but-set-variable] 469 | int km1, kp1, km2, kp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:469:22: warning: variable ‘km2’ set but not used [-Wunused-but-set-variable] 469 | int km1, kp1, km2, kp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:468:28: warning: variable ‘jp2’ set but not used [-Wunused-but-set-variable] 468 | int jm1, jp1, jm2, jp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:467:28: warning: variable ‘ip2’ set but not used [-Wunused-but-set-variable] 467 | int im1, ip1, im2, ip2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c: In function ‘VbuildG_27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1380:5: note: in expansion of macro ‘MAT3’ 1380 | MAT3(dPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1379:5: note: in expansion of macro ‘MAT3’ 1379 | MAT3(dPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1378:5: note: in expansion of macro ‘MAT3’ 1378 | MAT3(dPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1377:5: note: in expansion of macro ‘MAT3’ 1377 | MAT3(dPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1376:5: note: in expansion of macro ‘MAT3’ 1376 | MAT3( dPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1375:5: note: in expansion of macro ‘MAT3’ 1375 | MAT3( dPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1374:5: note: in expansion of macro ‘MAT3’ 1374 | MAT3( dPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1373:5: note: in expansion of macro ‘MAT3’ 1373 | MAT3( dPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1372:5: note: in expansion of macro ‘MAT3’ 1372 | MAT3( dPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1370:5: note: in expansion of macro ‘MAT3’ 1370 | MAT3(uPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1369:5: note: in expansion of macro ‘MAT3’ 1369 | MAT3(uPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1368:5: note: in expansion of macro ‘MAT3’ 1368 | MAT3(uPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1367:5: note: in expansion of macro ‘MAT3’ 1367 | MAT3(uPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1366:5: note: in expansion of macro ‘MAT3’ 1366 | MAT3( uPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1365:5: note: in expansion of macro ‘MAT3’ 1365 | MAT3( uPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1364:5: note: in expansion of macro ‘MAT3’ 1364 | MAT3( uPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1363:5: note: in expansion of macro ‘MAT3’ 1363 | MAT3( uPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1362:5: note: in expansion of macro ‘MAT3’ 1362 | MAT3( uPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1360:5: note: in expansion of macro ‘MAT3’ 1360 | MAT3(oPSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1359:5: note: in expansion of macro ‘MAT3’ 1359 | MAT3(oPSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1358:5: note: in expansion of macro ‘MAT3’ 1358 | MAT3(oPNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1357:5: note: in expansion of macro ‘MAT3’ 1357 | MAT3(oPNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1356:5: note: in expansion of macro ‘MAT3’ 1356 | MAT3( oPW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1355:5: note: in expansion of macro ‘MAT3’ 1355 | MAT3( oPE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1354:5: note: in expansion of macro ‘MAT3’ 1354 | MAT3( oPS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1353:5: note: in expansion of macro ‘MAT3’ 1353 | MAT3( oPN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1352:5: note: in expansion of macro ‘MAT3’ 1352 | MAT3( oPC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1350:5: note: in expansion of macro ‘MAT3’ 1350 | MAT3(XuSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1349:5: note: in expansion of macro ‘MAT3’ 1349 | MAT3(XuSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1348:5: note: in expansion of macro ‘MAT3’ 1348 | MAT3(XuNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1347:5: note: in expansion of macro ‘MAT3’ 1347 | MAT3(XuNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1346:5: note: in expansion of macro ‘MAT3’ 1346 | MAT3( XuS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1345:5: note: in expansion of macro ‘MAT3’ 1345 | MAT3( XuN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1344:5: note: in expansion of macro ‘MAT3’ 1344 | MAT3( XuW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1343:5: note: in expansion of macro ‘MAT3’ 1343 | MAT3( XuE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XuC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1342:5: note: in expansion of macro ‘MAT3’ 1342 | MAT3( XuC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1340:5: note: in expansion of macro ‘MAT3’ 1340 | MAT3(XoNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1339:5: note: in expansion of macro ‘MAT3’ 1339 | MAT3(XoNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1338:5: note: in expansion of macro ‘MAT3’ 1338 | MAT3( XoN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1337:5: note: in expansion of macro ‘MAT3’ 1337 | MAT3( XoE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_XoC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1336:5: note: in expansion of macro ‘MAT3’ 1336 | MAT3( XoC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1334:5: note: in expansion of macro ‘MAT3’ 1334 | MAT3( uSW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1333:5: note: in expansion of macro ‘MAT3’ 1333 | MAT3( uSE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1332:5: note: in expansion of macro ‘MAT3’ 1332 | MAT3( uNW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1331:5: note: in expansion of macro ‘MAT3’ 1331 | MAT3( uNE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1330:5: note: in expansion of macro ‘MAT3’ 1330 | MAT3( uS, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1329:5: note: in expansion of macro ‘MAT3’ 1329 | MAT3( uN, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1328:5: note: in expansion of macro ‘MAT3’ 1328 | MAT3( uW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1327:5: note: in expansion of macro ‘MAT3’ 1327 | MAT3( uE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1326:5: note: in expansion of macro ‘MAT3’ 1326 | MAT3( uC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1324:5: note: in expansion of macro ‘MAT3’ 1324 | MAT3( oNW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1323:5: note: in expansion of macro ‘MAT3’ 1323 | MAT3( oNE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1322:5: note: in expansion of macro ‘MAT3’ 1322 | MAT3( oN, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1321:5: note: in expansion of macro ‘MAT3’ 1321 | MAT3( oE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1320:5: note: in expansion of macro ‘MAT3’ 1320 | MAT3( oC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1277:21: warning: variable ‘nzm1’ set but not used [-Wunused-but-set-variable] 1277 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1277:15: warning: variable ‘nym1’ set but not used [-Wunused-but-set-variable] 1277 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1277:9: warning: variable ‘nxm1’ set but not used [-Wunused-but-set-variable] 1277 | int nxm1, nym1, nzm1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1276:9: warning: variable ‘kkm1’ set but not used [-Wunused-but-set-variable] 1276 | int kkm1, kkp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1273:28: warning: variable ‘kp2’ set but not used [-Wunused-but-set-variable] 1273 | int km1, kp1, km2, kp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c:1273:22: warning: variable ‘km2’ set but not used [-Wunused-but-set-variable] 1273 | int km1, kp1, km2, kp2; | ^~~ [ 31%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/buildPd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.h:58, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function ‘VbuildP’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:67:5: note: in expansion of macro ‘MAT2’ 67 | MAT2(ac, *nxf * *nyf * *nzf, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_pc’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:66:5: note: in expansion of macro ‘MAT2’ 66 | MAT2(pc, *nxc * *nyc * *nzc, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function ‘VbuildP_trilin’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_pc’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:101:5: note: in expansion of macro ‘MAT2’ 101 | MAT2(pc, *nxc * *nyc * *nzc, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function ‘VbuildPb_trilin’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:163:5: note: in expansion of macro ‘MAT3’ 163 | MAT3(dPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:162:5: note: in expansion of macro ‘MAT3’ 162 | MAT3(dPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:161:5: note: in expansion of macro ‘MAT3’ 161 | MAT3(dPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:160:5: note: in expansion of macro ‘MAT3’ 160 | MAT3(dPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:158:5: note: in expansion of macro ‘MAT3’ 158 | MAT3( dPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:157:5: note: in expansion of macro ‘MAT3’ 157 | MAT3( dPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:156:5: note: in expansion of macro ‘MAT3’ 156 | MAT3( dPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:155:5: note: in expansion of macro ‘MAT3’ 155 | MAT3( dPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:154:5: note: in expansion of macro ‘MAT3’ 154 | MAT3( dPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:152:5: note: in expansion of macro ‘MAT3’ 152 | MAT3(uPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:151:5: note: in expansion of macro ‘MAT3’ 151 | MAT3(uPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:150:5: note: in expansion of macro ‘MAT3’ 150 | MAT3(uPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:149:5: note: in expansion of macro ‘MAT3’ 149 | MAT3(uPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:147:5: note: in expansion of macro ‘MAT3’ 147 | MAT3( uPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:146:5: note: in expansion of macro ‘MAT3’ 146 | MAT3( uPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:145:5: note: in expansion of macro ‘MAT3’ 145 | MAT3( uPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:144:5: note: in expansion of macro ‘MAT3’ 144 | MAT3( uPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:143:5: note: in expansion of macro ‘MAT3’ 143 | MAT3( uPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:141:5: note: in expansion of macro ‘MAT3’ 141 | MAT3(oPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:140:5: note: in expansion of macro ‘MAT3’ 140 | MAT3(oPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:139:5: note: in expansion of macro ‘MAT3’ 139 | MAT3(oPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:138:5: note: in expansion of macro ‘MAT3’ 138 | MAT3(oPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:136:5: note: in expansion of macro ‘MAT3’ 136 | MAT3( oPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:135:5: note: in expansion of macro ‘MAT3’ 135 | MAT3( oPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:134:5: note: in expansion of macro ‘MAT3’ 134 | MAT3( oPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:133:5: note: in expansion of macro ‘MAT3’ 133 | MAT3( oPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:132:5: note: in expansion of macro ‘MAT3’ 132 | MAT3( oPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function ‘VbuildP_op7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_pc’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:212:5: note: in expansion of macro ‘MAT2’ 212 | MAT2(pc, *nxc * *nyc * *nzc, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:211:5: note: in expansion of macro ‘MAT2’ 211 | MAT2(ac, *nxf * *nyf * *nzf, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function ‘VbuildPb_op7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:287:5: note: in expansion of macro ‘MAT3’ 287 | MAT3(dPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:286:5: note: in expansion of macro ‘MAT3’ 286 | MAT3(dPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:285:5: note: in expansion of macro ‘MAT3’ 285 | MAT3(dPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:284:5: note: in expansion of macro ‘MAT3’ 284 | MAT3(dPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:283:5: note: in expansion of macro ‘MAT3’ 283 | MAT3( dPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:282:5: note: in expansion of macro ‘MAT3’ 282 | MAT3( dPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:281:5: note: in expansion of macro ‘MAT3’ 281 | MAT3( dPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:280:5: note: in expansion of macro ‘MAT3’ 280 | MAT3( dPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:279:5: note: in expansion of macro ‘MAT3’ 279 | MAT3( dPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:278:5: note: in expansion of macro ‘MAT3’ 278 | MAT3(uPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:277:5: note: in expansion of macro ‘MAT3’ 277 | MAT3(uPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:276:5: note: in expansion of macro ‘MAT3’ 276 | MAT3(uPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:275:5: note: in expansion of macro ‘MAT3’ 275 | MAT3(uPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:274:5: note: in expansion of macro ‘MAT3’ 274 | MAT3( uPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:273:5: note: in expansion of macro ‘MAT3’ 273 | MAT3( uPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:272:5: note: in expansion of macro ‘MAT3’ 272 | MAT3( uPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:271:5: note: in expansion of macro ‘MAT3’ 271 | MAT3( uPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:270:5: note: in expansion of macro ‘MAT3’ 270 | MAT3( uPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:269:5: note: in expansion of macro ‘MAT3’ 269 | MAT3(oPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:268:5: note: in expansion of macro ‘MAT3’ 268 | MAT3(oPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:267:5: note: in expansion of macro ‘MAT3’ 267 | MAT3(oPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:266:5: note: in expansion of macro ‘MAT3’ 266 | MAT3(oPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:265:5: note: in expansion of macro ‘MAT3’ 265 | MAT3( oPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:264:5: note: in expansion of macro ‘MAT3’ 264 | MAT3( oPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:263:5: note: in expansion of macro ‘MAT3’ 263 | MAT3( oPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:262:5: note: in expansion of macro ‘MAT3’ 262 | MAT3( oPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:261:5: note: in expansion of macro ‘MAT3’ 261 | MAT3( oPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:260:5: note: in expansion of macro ‘MAT3’ 260 | MAT3( uC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:259:5: note: in expansion of macro ‘MAT3’ 259 | MAT3( oN, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:258:5: note: in expansion of macro ‘MAT3’ 258 | MAT3( oE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:257:5: note: in expansion of macro ‘MAT3’ 257 | MAT3( oC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:255:32: warning: variable ‘eighth’ set but not used [-Wunused-but-set-variable] 255 | double won, half, quarter, eighth; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:255:23: warning: variable ‘quarter’ set but not used [-Wunused-but-set-variable] 255 | double won, half, quarter, eighth; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:255:17: warning: variable ‘half’ set but not used [-Wunused-but-set-variable] 255 | double won, half, quarter, eighth; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:253:15: warning: variable ‘kkp1’ set but not used [-Wunused-but-set-variable] 253 | int kkm1, kkp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:253:9: warning: variable ‘kkm1’ set but not used [-Wunused-but-set-variable] 253 | int kkm1, kkp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:252:15: warning: variable ‘jjp1’ set but not used [-Wunused-but-set-variable] 252 | int jjm1, jjp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:252:9: warning: variable ‘jjm1’ set but not used [-Wunused-but-set-variable] 252 | int jjm1, jjp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:251:15: warning: variable ‘iip1’ set but not used [-Wunused-but-set-variable] 251 | int iim1, iip1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:251:9: warning: variable ‘iim1’ set but not used [-Wunused-but-set-variable] 251 | int iim1, iip1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:250:16: warning: variable ‘kp2’ set but not used [-Wunused-but-set-variable] 250 | int km2, kp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:250:10: warning: variable ‘km2’ set but not used [-Wunused-but-set-variable] 250 | int km2, kp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:248:16: warning: variable ‘jp2’ set but not used [-Wunused-but-set-variable] 248 | int jm2, jp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:248:10: warning: variable ‘jm2’ set but not used [-Wunused-but-set-variable] 248 | int jm2, jp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:246:16: warning: variable ‘ip2’ set but not used [-Wunused-but-set-variable] 246 | int im2, ip2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:246:10: warning: variable ‘im2’ set but not used [-Wunused-but-set-variable] 246 | int im2, ip2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function ‘VbuildP_op27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_pc’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:728:5: note: in expansion of macro ‘MAT2’ 728 | MAT2(pc, *nxc * *nyc * *nzc, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:727:5: note: in expansion of macro ‘MAT2’ 727 | MAT2(ac, *nxf * *nyf * *nzf, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c: In function ‘VbuildPb_op27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:818:7: note: in expansion of macro ‘MAT3’ 818 | MAT3(dPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:817:7: note: in expansion of macro ‘MAT3’ 817 | MAT3(dPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:816:7: note: in expansion of macro ‘MAT3’ 816 | MAT3(dPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:815:7: note: in expansion of macro ‘MAT3’ 815 | MAT3(dPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:814:7: note: in expansion of macro ‘MAT3’ 814 | MAT3( dPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:813:7: note: in expansion of macro ‘MAT3’ 813 | MAT3( dPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:812:7: note: in expansion of macro ‘MAT3’ 812 | MAT3( dPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:811:7: note: in expansion of macro ‘MAT3’ 811 | MAT3( dPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:810:7: note: in expansion of macro ‘MAT3’ 810 | MAT3( dPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:809:7: note: in expansion of macro ‘MAT3’ 809 | MAT3(uPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:808:7: note: in expansion of macro ‘MAT3’ 808 | MAT3(uPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:807:7: note: in expansion of macro ‘MAT3’ 807 | MAT3(uPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:806:7: note: in expansion of macro ‘MAT3’ 806 | MAT3(uPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:805:7: note: in expansion of macro ‘MAT3’ 805 | MAT3( uPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:804:7: note: in expansion of macro ‘MAT3’ 804 | MAT3( uPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:803:7: note: in expansion of macro ‘MAT3’ 803 | MAT3( uPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:802:7: note: in expansion of macro ‘MAT3’ 802 | MAT3( uPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:801:7: note: in expansion of macro ‘MAT3’ 801 | MAT3( uPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:800:7: note: in expansion of macro ‘MAT3’ 800 | MAT3(oPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:799:7: note: in expansion of macro ‘MAT3’ 799 | MAT3(oPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:798:7: note: in expansion of macro ‘MAT3’ 798 | MAT3(oPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:797:7: note: in expansion of macro ‘MAT3’ 797 | MAT3(oPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:796:7: note: in expansion of macro ‘MAT3’ 796 | MAT3( oPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:795:7: note: in expansion of macro ‘MAT3’ 795 | MAT3( oPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:794:7: note: in expansion of macro ‘MAT3’ 794 | MAT3( oPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:793:7: note: in expansion of macro ‘MAT3’ 793 | MAT3( oPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:792:7: note: in expansion of macro ‘MAT3’ 792 | MAT3( oPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:791:7: note: in expansion of macro ‘MAT3’ 791 | MAT3( uSW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:790:7: note: in expansion of macro ‘MAT3’ 790 | MAT3( uSE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:789:7: note: in expansion of macro ‘MAT3’ 789 | MAT3( uNW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:788:7: note: in expansion of macro ‘MAT3’ 788 | MAT3( uNE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:787:7: note: in expansion of macro ‘MAT3’ 787 | MAT3( uS, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:786:7: note: in expansion of macro ‘MAT3’ 786 | MAT3( uN, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:785:7: note: in expansion of macro ‘MAT3’ 785 | MAT3( uW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:784:7: note: in expansion of macro ‘MAT3’ 784 | MAT3( uE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:783:7: note: in expansion of macro ‘MAT3’ 783 | MAT3( oNW, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:782:7: note: in expansion of macro ‘MAT3’ 782 | MAT3( oNE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:781:7: note: in expansion of macro ‘MAT3’ 781 | MAT3( uC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:780:7: note: in expansion of macro ‘MAT3’ 780 | MAT3( oN, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:779:7: note: in expansion of macro ‘MAT3’ 779 | MAT3( oE, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:778:7: note: in expansion of macro ‘MAT3’ 778 | MAT3( oC, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:776:34: warning: variable ‘eighth’ set but not used [-Wunused-but-set-variable] 776 | double won, half, quarter, eighth; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:776:25: warning: variable ‘quarter’ set but not used [-Wunused-but-set-variable] 776 | double won, half, quarter, eighth; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:776:19: warning: variable ‘half’ set but not used [-Wunused-but-set-variable] 776 | double won, half, quarter, eighth; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:774:17: warning: variable ‘kkp1’ set but not used [-Wunused-but-set-variable] 774 | int kkm1, kkp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:774:11: warning: variable ‘kkm1’ set but not used [-Wunused-but-set-variable] 774 | int kkm1, kkp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:773:17: warning: variable ‘jjp1’ set but not used [-Wunused-but-set-variable] 773 | int jjm1, jjp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:773:11: warning: variable ‘jjm1’ set but not used [-Wunused-but-set-variable] 773 | int jjm1, jjp1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:772:17: warning: variable ‘iip1’ set but not used [-Wunused-but-set-variable] 772 | int iim1, iip1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:772:11: warning: variable ‘iim1’ set but not used [-Wunused-but-set-variable] 772 | int iim1, iip1; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:771:18: warning: variable ‘kp2’ set but not used [-Wunused-but-set-variable] 771 | int km2, kp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:771:12: warning: variable ‘km2’ set but not used [-Wunused-but-set-variable] 771 | int km2, kp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:769:18: warning: variable ‘jp2’ set but not used [-Wunused-but-set-variable] 769 | int jm2, jp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:769:12: warning: variable ‘jm2’ set but not used [-Wunused-but-set-variable] 769 | int jm2, jp2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:767:18: warning: variable ‘ip2’ set but not used [-Wunused-but-set-variable] 767 | int im2, ip2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c:767:12: warning: variable ‘im2’ set but not used [-Wunused-but-set-variable] 767 | int im2, ip2; | ^~~ [ 32%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/cgd.c.o /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c: In function ‘Vcghs’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c:99:24: warning: ‘rhok1’ may be used uninitialized [-Wmaybe-uninitialized] 99 | beta = rhok2 / rhok1; | ~~~~~~^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c:66:12: note: ‘rhok1’ was declared here 66 | double rhok1, rhok2, alpha, beta; | ^~~~~ [ 33%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/gsd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c: In function ‘Vgsrb’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:67:5: note: in expansion of macro ‘MAT2’ 67 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c: In function ‘Vgsrb7x’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:116:5: note: in expansion of macro ‘MAT3’ 116 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:115:5: note: in expansion of macro ‘MAT3’ 115 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:114:5: note: in expansion of macro ‘MAT3’ 114 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:113:5: note: in expansion of macro ‘MAT3’ 113 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_r’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:111:5: note: in expansion of macro ‘MAT3’ 111 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_r’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:111:5: note: in expansion of macro ‘MAT3’ 111 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_r’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:111:5: note: in expansion of macro ‘MAT3’ 111 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w2’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:110:5: note: in expansion of macro ‘MAT3’ 110 | MAT3(w2, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_w2’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:110:5: note: in expansion of macro ‘MAT3’ 110 | MAT3(w2, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_w2’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:110:5: note: in expansion of macro ‘MAT3’ 110 | MAT3(w2, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w1’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:109:5: note: in expansion of macro ‘MAT3’ 109 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_w1’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:109:5: note: in expansion of macro ‘MAT3’ 109 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_w1’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:109:5: note: in expansion of macro ‘MAT3’ 109 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:108:5: note: in expansion of macro ‘MAT3’ 108 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:107:5: note: in expansion of macro ‘MAT3’ 107 | MAT3(fc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:106:5: note: in expansion of macro ‘MAT3’ 106 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c: In function ‘Vgsrb27x’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:208:5: note: in expansion of macro ‘MAT3’ 208 | MAT3(uSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:207:5: note: in expansion of macro ‘MAT3’ 207 | MAT3(uSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:206:5: note: in expansion of macro ‘MAT3’ 206 | MAT3(uNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:205:5: note: in expansion of macro ‘MAT3’ 205 | MAT3(uNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:204:5: note: in expansion of macro ‘MAT3’ 204 | MAT3( uS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:203:5: note: in expansion of macro ‘MAT3’ 203 | MAT3( uN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:202:5: note: in expansion of macro ‘MAT3’ 202 | MAT3( uW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:201:5: note: in expansion of macro ‘MAT3’ 201 | MAT3( uE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:199:5: note: in expansion of macro ‘MAT3’ 199 | MAT3(oNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:198:5: note: in expansion of macro ‘MAT3’ 198 | MAT3(oNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:196:5: note: in expansion of macro ‘MAT3’ 196 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:195:5: note: in expansion of macro ‘MAT3’ 195 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:194:5: note: in expansion of macro ‘MAT3’ 194 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:193:5: note: in expansion of macro ‘MAT3’ 193 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_r’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:191:5: note: in expansion of macro ‘MAT3’ 191 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_r’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:191:5: note: in expansion of macro ‘MAT3’ 191 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_r’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:191:5: note: in expansion of macro ‘MAT3’ 191 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w2’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:190:5: note: in expansion of macro ‘MAT3’ 190 | MAT3(w2, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_w2’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:190:5: note: in expansion of macro ‘MAT3’ 190 | MAT3(w2, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_w2’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:190:5: note: in expansion of macro ‘MAT3’ 190 | MAT3(w2, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w1’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:189:5: note: in expansion of macro ‘MAT3’ 189 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_w1’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:189:5: note: in expansion of macro ‘MAT3’ 189 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_w1’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:189:5: note: in expansion of macro ‘MAT3’ 189 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:188:5: note: in expansion of macro ‘MAT3’ 188 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:187:5: note: in expansion of macro ‘MAT3’ 187 | MAT3(fc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:186:5: note: in expansion of macro ‘MAT3’ 186 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:182:9: warning: variable ‘istep’ set but not used [-Wunused-but-set-variable] 182 | int istep; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:180:17: warning: variable ‘k2’ set but not used [-Wunused-but-set-variable] 180 | int i2, j2, k2; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:180:13: warning: variable ‘j2’ set but not used [-Wunused-but-set-variable] 180 | int i2, j2, k2; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:180:9: warning: variable ‘i2’ set but not used [-Wunused-but-set-variable] 180 | int i2, j2, k2; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:179:17: warning: variable ‘k1’ set but not used [-Wunused-but-set-variable] 179 | int i1, j1, k1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:179:13: warning: variable ‘j1’ set but not used [-Wunused-but-set-variable] 179 | int i1, j1, k1; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c:179:9: warning: variable ‘i1’ set but not used [-Wunused-but-set-variable] 179 | int i1, j1, k1; | ^~ [ 34%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/matvecd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.h:55, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmatvec7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:87:5: note: in expansion of macro ‘MAT2’ 87 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmatvec7_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:112:5: note: in expansion of macro ‘MAT3’ 112 | MAT3(y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:111:5: note: in expansion of macro ‘MAT3’ 111 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:110:5: note: in expansion of macro ‘MAT3’ 110 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:109:5: note: in expansion of macro ‘MAT3’ 109 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:108:5: note: in expansion of macro ‘MAT3’ 108 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:107:5: note: in expansion of macro ‘MAT3’ 107 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:106:5: note: in expansion of macro ‘MAT3’ 106 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmatvec27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:139:5: note: in expansion of macro ‘MAT2’ 139 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmatvec27_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:184:5: note: in expansion of macro ‘MAT3’ 184 | MAT3(uSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:183:5: note: in expansion of macro ‘MAT3’ 183 | MAT3(uSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:182:5: note: in expansion of macro ‘MAT3’ 182 | MAT3(uNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:181:5: note: in expansion of macro ‘MAT3’ 181 | MAT3(uNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:180:5: note: in expansion of macro ‘MAT3’ 180 | MAT3(uS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:179:5: note: in expansion of macro ‘MAT3’ 179 | MAT3(uN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:178:5: note: in expansion of macro ‘MAT3’ 178 | MAT3(uW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:177:5: note: in expansion of macro ‘MAT3’ 177 | MAT3(uE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:176:5: note: in expansion of macro ‘MAT3’ 176 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:174:5: note: in expansion of macro ‘MAT3’ 174 | MAT3(oNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:173:5: note: in expansion of macro ‘MAT3’ 173 | MAT3(oNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:172:5: note: in expansion of macro ‘MAT3’ 172 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:171:5: note: in expansion of macro ‘MAT3’ 171 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:170:5: note: in expansion of macro ‘MAT3’ 170 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:168:5: note: in expansion of macro ‘MAT3’ 168 | MAT3(y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:167:5: note: in expansion of macro ‘MAT3’ 167 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:166:5: note: in expansion of macro ‘MAT3’ 166 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmatvec7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:263:5: note: in expansion of macro ‘MAT2’ 263 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmatvecd7_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w1’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:292:5: note: in expansion of macro ‘MAT3’ 292 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:291:5: note: in expansion of macro ‘MAT3’ 291 | MAT3( y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:290:5: note: in expansion of macro ‘MAT3’ 290 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:289:5: note: in expansion of macro ‘MAT3’ 289 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:288:5: note: in expansion of macro ‘MAT3’ 288 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_cc’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:288:5: note: in expansion of macro ‘MAT3’ 288 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_cc’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:288:5: note: in expansion of macro ‘MAT3’ 288 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:287:5: note: in expansion of macro ‘MAT3’ 287 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:286:5: note: in expansion of macro ‘MAT3’ 286 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:285:5: note: in expansion of macro ‘MAT3’ 285 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmatvec27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:322:5: note: in expansion of macro ‘MAT2’ 322 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmatvecd27_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w1’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:370:5: note: in expansion of macro ‘MAT3’ 370 | MAT3( w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:369:5: note: in expansion of macro ‘MAT3’ 369 | MAT3( y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:368:5: note: in expansion of macro ‘MAT3’ 368 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:367:5: note: in expansion of macro ‘MAT3’ 367 | MAT3( oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:366:5: note: in expansion of macro ‘MAT3’ 366 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_cc’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:366:5: note: in expansion of macro ‘MAT3’ 366 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_cc’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:366:5: note: in expansion of macro ‘MAT3’ 366 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:365:5: note: in expansion of macro ‘MAT3’ 365 | MAT3(uSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:364:5: note: in expansion of macro ‘MAT3’ 364 | MAT3(uSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:363:5: note: in expansion of macro ‘MAT3’ 363 | MAT3(uNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:362:5: note: in expansion of macro ‘MAT3’ 362 | MAT3(uNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:361:5: note: in expansion of macro ‘MAT3’ 361 | MAT3( uS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:360:5: note: in expansion of macro ‘MAT3’ 360 | MAT3( uN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:359:5: note: in expansion of macro ‘MAT3’ 359 | MAT3( uW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:358:5: note: in expansion of macro ‘MAT3’ 358 | MAT3( uE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:357:5: note: in expansion of macro ‘MAT3’ 357 | MAT3(oNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:356:5: note: in expansion of macro ‘MAT3’ 356 | MAT3(oNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:355:5: note: in expansion of macro ‘MAT3’ 355 | MAT3( uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:354:5: note: in expansion of macro ‘MAT3’ 354 | MAT3( oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:353:5: note: in expansion of macro ‘MAT3’ 353 | MAT3( oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmresid7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:451:5: note: in expansion of macro ‘MAT2’ 451 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmresid7_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_r’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:476:5: note: in expansion of macro ‘MAT3’ 476 | MAT3(r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:475:5: note: in expansion of macro ‘MAT3’ 475 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:474:5: note: in expansion of macro ‘MAT3’ 474 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:473:5: note: in expansion of macro ‘MAT3’ 473 | MAT3(fc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:472:5: note: in expansion of macro ‘MAT3’ 472 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:471:5: note: in expansion of macro ‘MAT3’ 471 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:470:5: note: in expansion of macro ‘MAT3’ 470 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:469:5: note: in expansion of macro ‘MAT3’ 469 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmresid27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:503:5: note: in expansion of macro ‘MAT2’ 503 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vmresid27_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:550:5: note: in expansion of macro ‘MAT3’ 550 | MAT3(uSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:549:5: note: in expansion of macro ‘MAT3’ 549 | MAT3(uSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:548:5: note: in expansion of macro ‘MAT3’ 548 | MAT3(uNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:547:5: note: in expansion of macro ‘MAT3’ 547 | MAT3(uNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:546:5: note: in expansion of macro ‘MAT3’ 546 | MAT3(uS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:545:5: note: in expansion of macro ‘MAT3’ 545 | MAT3(uN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:544:5: note: in expansion of macro ‘MAT3’ 544 | MAT3(uW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:543:5: note: in expansion of macro ‘MAT3’ 543 | MAT3(uE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:542:5: note: in expansion of macro ‘MAT3’ 542 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:540:5: note: in expansion of macro ‘MAT3’ 540 | MAT3(oNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:539:5: note: in expansion of macro ‘MAT3’ 539 | MAT3(oNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:538:5: note: in expansion of macro ‘MAT3’ 538 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:537:5: note: in expansion of macro ‘MAT3’ 537 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:536:5: note: in expansion of macro ‘MAT3’ 536 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_r’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:534:5: note: in expansion of macro ‘MAT3’ 534 | MAT3(r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:533:5: note: in expansion of macro ‘MAT3’ 533 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:532:5: note: in expansion of macro ‘MAT3’ 532 | MAT3(fc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:531:5: note: in expansion of macro ‘MAT3’ 531 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmresid7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:623:5: note: in expansion of macro ‘MAT2’ 623 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmresid7_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w1’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:650:5: note: in expansion of macro ‘MAT3’ 650 | MAT3(w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_r’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:649:5: note: in expansion of macro ‘MAT3’ 649 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:648:5: note: in expansion of macro ‘MAT3’ 648 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:647:5: note: in expansion of macro ‘MAT3’ 647 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:646:5: note: in expansion of macro ‘MAT3’ 646 | MAT3(fc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:645:5: note: in expansion of macro ‘MAT3’ 645 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_cc’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:645:5: note: in expansion of macro ‘MAT3’ 645 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_cc’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:645:5: note: in expansion of macro ‘MAT3’ 645 | MAT3(cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:644:5: note: in expansion of macro ‘MAT3’ 644 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:643:5: note: in expansion of macro ‘MAT3’ 643 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:642:5: note: in expansion of macro ‘MAT3’ 642 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmresid27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:681:5: note: in expansion of macro ‘MAT2’ 681 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vnmresid27_1s’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_w1’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:727:5: note: in expansion of macro ‘MAT3’ 727 | MAT3( w1, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_r’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:726:5: note: in expansion of macro ‘MAT3’ 726 | MAT3( r, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:725:5: note: in expansion of macro ‘MAT3’ 725 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:724:5: note: in expansion of macro ‘MAT3’ 724 | MAT3(uSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:723:5: note: in expansion of macro ‘MAT3’ 723 | MAT3(uSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:722:5: note: in expansion of macro ‘MAT3’ 722 | MAT3(uNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:721:5: note: in expansion of macro ‘MAT3’ 721 | MAT3(uNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:720:5: note: in expansion of macro ‘MAT3’ 720 | MAT3( uS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:719:5: note: in expansion of macro ‘MAT3’ 719 | MAT3( uN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:718:5: note: in expansion of macro ‘MAT3’ 718 | MAT3( uW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:717:5: note: in expansion of macro ‘MAT3’ 717 | MAT3( uE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:716:5: note: in expansion of macro ‘MAT3’ 716 | MAT3(oNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:715:5: note: in expansion of macro ‘MAT3’ 715 | MAT3(oNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:714:5: note: in expansion of macro ‘MAT3’ 714 | MAT3( uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:713:5: note: in expansion of macro ‘MAT3’ 713 | MAT3( oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:712:5: note: in expansion of macro ‘MAT3’ 712 | MAT3( oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:711:5: note: in expansion of macro ‘MAT3’ 711 | MAT3( fc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:710:5: note: in expansion of macro ‘MAT3’ 710 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_cc’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:710:5: note: in expansion of macro ‘MAT3’ 710 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_cc’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:710:5: note: in expansion of macro ‘MAT3’ 710 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:709:5: note: in expansion of macro ‘MAT3’ 709 | MAT3( oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vrestrc’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_pc’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:786:5: note: in expansion of macro ‘MAT2’ 786 | MAT2(pc, *nxc * *nyc * *nzc, 1 ); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vrestrc2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:852:5: note: in expansion of macro ‘MAT3’ 852 | MAT3(dPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:851:5: note: in expansion of macro ‘MAT3’ 851 | MAT3(dPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:850:5: note: in expansion of macro ‘MAT3’ 850 | MAT3(dPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:849:5: note: in expansion of macro ‘MAT3’ 849 | MAT3(dPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:847:5: note: in expansion of macro ‘MAT3’ 847 | MAT3(dPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:846:5: note: in expansion of macro ‘MAT3’ 846 | MAT3(dPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:845:5: note: in expansion of macro ‘MAT3’ 845 | MAT3(dPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:844:5: note: in expansion of macro ‘MAT3’ 844 | MAT3(dPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:843:5: note: in expansion of macro ‘MAT3’ 843 | MAT3(dPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:841:5: note: in expansion of macro ‘MAT3’ 841 | MAT3(uPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:840:5: note: in expansion of macro ‘MAT3’ 840 | MAT3(uPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:839:5: note: in expansion of macro ‘MAT3’ 839 | MAT3(uPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:838:5: note: in expansion of macro ‘MAT3’ 838 | MAT3(uPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:836:5: note: in expansion of macro ‘MAT3’ 836 | MAT3(uPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:835:5: note: in expansion of macro ‘MAT3’ 835 | MAT3(uPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:834:5: note: in expansion of macro ‘MAT3’ 834 | MAT3(uPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:833:5: note: in expansion of macro ‘MAT3’ 833 | MAT3(uPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:832:5: note: in expansion of macro ‘MAT3’ 832 | MAT3(uPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:830:5: note: in expansion of macro ‘MAT3’ 830 | MAT3(oPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:829:5: note: in expansion of macro ‘MAT3’ 829 | MAT3(oPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:828:5: note: in expansion of macro ‘MAT3’ 828 | MAT3(oPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:827:5: note: in expansion of macro ‘MAT3’ 827 | MAT3(oPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:825:5: note: in expansion of macro ‘MAT3’ 825 | MAT3(oPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:824:5: note: in expansion of macro ‘MAT3’ 824 | MAT3(oPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:823:5: note: in expansion of macro ‘MAT3’ 823 | MAT3(oPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:822:5: note: in expansion of macro ‘MAT3’ 822 | MAT3(oPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:821:5: note: in expansion of macro ‘MAT3’ 821 | MAT3(oPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_xout’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:819:5: note: in expansion of macro ‘MAT3’ 819 | MAT3(xout, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_xin’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:818:5: note: in expansion of macro ‘MAT3’ 818 | MAT3(xin, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:816:12: warning: variable ‘dimfac’ set but not used [-Wunused-but-set-variable] 816 | double dimfac; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘VinterpPMG’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_pc’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:920:5: note: in expansion of macro ‘MAT2’ 920 | MAT2(pc, *nxc * *nyc * *nzc, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘VinterpPMG2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:982:5: note: in expansion of macro ‘MAT3’ 982 | MAT3(dPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:981:5: note: in expansion of macro ‘MAT3’ 981 | MAT3(dPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:980:5: note: in expansion of macro ‘MAT3’ 980 | MAT3(dPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:979:5: note: in expansion of macro ‘MAT3’ 979 | MAT3(dPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:977:5: note: in expansion of macro ‘MAT3’ 977 | MAT3( dPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:976:5: note: in expansion of macro ‘MAT3’ 976 | MAT3( dPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:975:5: note: in expansion of macro ‘MAT3’ 975 | MAT3( dPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:974:5: note: in expansion of macro ‘MAT3’ 974 | MAT3( dPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_dPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:973:5: note: in expansion of macro ‘MAT3’ 973 | MAT3( dPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:971:5: note: in expansion of macro ‘MAT3’ 971 | MAT3(uPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:970:5: note: in expansion of macro ‘MAT3’ 970 | MAT3(uPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:969:5: note: in expansion of macro ‘MAT3’ 969 | MAT3(uPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:968:5: note: in expansion of macro ‘MAT3’ 968 | MAT3(uPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:966:5: note: in expansion of macro ‘MAT3’ 966 | MAT3( uPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:965:5: note: in expansion of macro ‘MAT3’ 965 | MAT3( uPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:964:5: note: in expansion of macro ‘MAT3’ 964 | MAT3( uPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:963:5: note: in expansion of macro ‘MAT3’ 963 | MAT3( uPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:962:5: note: in expansion of macro ‘MAT3’ 962 | MAT3( uPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:960:5: note: in expansion of macro ‘MAT3’ 960 | MAT3(oPSW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:959:5: note: in expansion of macro ‘MAT3’ 959 | MAT3(oPSE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:958:5: note: in expansion of macro ‘MAT3’ 958 | MAT3(oPNW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:957:5: note: in expansion of macro ‘MAT3’ 957 | MAT3(oPNE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:955:5: note: in expansion of macro ‘MAT3’ 955 | MAT3( oPW, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:954:5: note: in expansion of macro ‘MAT3’ 954 | MAT3( oPE, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:953:5: note: in expansion of macro ‘MAT3’ 953 | MAT3( oPS, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:952:5: note: in expansion of macro ‘MAT3’ 952 | MAT3( oPN, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oPC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:951:5: note: in expansion of macro ‘MAT3’ 951 | MAT3( oPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:78:9: warning: unused variable ‘dy_oPC’ [-Wunused-variable] 78 | int dy_##mat = dy; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:951:5: note: in expansion of macro ‘MAT3’ 951 | MAT3( oPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:77:9: warning: unused variable ‘dx_oPC’ [-Wunused-variable] 77 | int dx_##mat = dx; \ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:951:5: note: in expansion of macro ‘MAT3’ 951 | MAT3( oPC, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_xout’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:949:5: note: in expansion of macro ‘MAT3’ 949 | MAT3(xout, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_xin’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:948:5: note: in expansion of macro ‘MAT3’ 948 | MAT3( xin, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c: In function ‘Vextrac’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_xout’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:1086:5: note: in expansion of macro ‘MAT3’ 1086 | MAT3(xout, *nxc, *nyc, *nzc); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_xin’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c:1085:5: note: in expansion of macro ‘MAT3’ 1085 | MAT3( xin, *nxf, *nyf, *nzf); | ^~~~ [ 35%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgcsd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.h:58, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c: In function ‘Vmvcs’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:99:5: note: in expansion of macro ‘MAT2’ 99 | MAT2(iz, 50, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:560:13: warning: ‘rsden’ may be used uninitialized [-Wmaybe-uninitialized] 560 | Vprtstp(*iok, *iters, rsnrm, rsden, orsnrm); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c:88:12: note: ‘rsden’ was declared here 88 | double rsden; // @todo: doc | ^~~~~ [ 36%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgdrvd.c.o /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c: In function ‘Vmgdriv’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:85:9: warning: unused variable ‘ierror’ [-Wunused-variable] 85 | int ierror = 0; | ^~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h:62, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c: In function ‘Vmgdriv2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:267:5: note: in expansion of macro ‘MAT2’ 267 | MAT2(iz, 50, nlev); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:234:12: warning: unused variable ‘tsolve’ [-Wunused-variable] 234 | double tsolve = 0.0; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:233:12: warning: unused variable ‘tsetupc’ [-Wunused-variable] 233 | double tsetupc = 0.0; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:232:12: warning: unused variable ‘tsetupf’ [-Wunused-variable] 232 | double tsetupf = 0.0; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:231:12: warning: unused variable ‘oh’ [-Wunused-variable] 231 | double oh = 0.0; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:230:12: warning: unused variable ‘bf’ [-Wunused-variable] 230 | double bf = 0.0; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:226:12: warning: unused variable ‘epsmac’ [-Wunused-variable] 226 | double epsmac = 0.0; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c: In function ‘Vmgsz’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:655:26: warning: ‘num_narrc_oper’ may be used uninitialized [-Wmaybe-uninitialized] 655 | + (num_narrc + num_narrc_oper) * *narrc | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:580:22: note: ‘num_narrc_oper’ was declared here 580 | int num_nf_oper, num_narrc_oper; | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:654:41: warning: ‘num_nf_oper’ may be used uninitialized [-Wmaybe-uninitialized] 654 | + (num_nf + num_nf_oper) * *nf | ~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:580:9: note: ‘num_nf_oper’ was declared here 580 | int num_nf_oper, num_narrc_oper; | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:656:13: warning: ‘n_band’ may be used uninitialized [-Wmaybe-uninitialized] 653 | *iretot = num_narr * *narr | ~~~~~~~~~~~~~~~~ 654 | + (num_nf + num_nf_oper) * *nf | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 655 | + (num_narrc + num_narrc_oper) * *narrc | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 656 | + n_band | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c:577:28: note: ‘n_band’ was declared here 577 | int nc_band, num_band, n_band; | ^~~~~~ [ 37%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgsubd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h:58, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function ‘Vbuildops’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:83:5: note: in expansion of macro ‘MAT2’ 83 | MAT2(iz, 50, *nlev); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function ‘Vbuildstr’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:266:5: note: in expansion of macro ‘MAT2’ 266 | MAT2(iz, 50, *nlev); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function ‘Vbuildcopy0’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fcf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:628:5: note: in expansion of macro ‘MAT3’ 628 | MAT3( fcf, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_ccf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:627:5: note: in expansion of macro ‘MAT3’ 627 | MAT3( ccf, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_tcf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:626:5: note: in expansion of macro ‘MAT3’ 626 | MAT3( tcf, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a3cf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:625:5: note: in expansion of macro ‘MAT3’ 625 | MAT3(a3cf, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a2cf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:624:5: note: in expansion of macro ‘MAT3’ 624 | MAT3(a2cf, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a1cf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:623:5: note: in expansion of macro ‘MAT3’ 623 | MAT3(a1cf, *nxf, *nyf, *nzf); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gzcf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:622:5: note: in expansion of macro ‘MAT3’ 622 | MAT3(gzcf, *nxf, *nyf, 4); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gycf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:621:5: note: in expansion of macro ‘MAT3’ 621 | MAT3(gycf, *nxf, *nzf, 4); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gxcf’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:620:5: note: in expansion of macro ‘MAT3’ 620 | MAT3(gxcf, *nyf, *nzf, 4); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_tc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:619:5: note: in expansion of macro ‘MAT3’ 619 | MAT3( tc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_fc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:618:5: note: in expansion of macro ‘MAT3’ 618 | MAT3( fc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_cc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:617:5: note: in expansion of macro ‘MAT3’ 617 | MAT3( cc, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a3c’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:616:5: note: in expansion of macro ‘MAT3’ 616 | MAT3( a3c, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a2c’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:615:5: note: in expansion of macro ‘MAT3’ 615 | MAT3( a2c, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_a1c’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:614:5: note: in expansion of macro ‘MAT3’ 614 | MAT3( a1c, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gzc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:613:5: note: in expansion of macro ‘MAT3’ 613 | MAT3( gzc, *nx, *ny, 4); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gyc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:612:5: note: in expansion of macro ‘MAT3’ 612 | MAT3( gyc, *nx, *nz, 4); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gxc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:611:5: note: in expansion of macro ‘MAT3’ 611 | MAT3( gxc, *ny, *nz, 4); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c: In function ‘Vbuildalg’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c:914:5: note: in expansion of macro ‘MAT2’ 914 | MAT2(iz, 50, *nlev); | ^~~~ [ 39%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mikpckd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h:58, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxcopy’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:60:5: note: in expansion of macro ‘MAT3’ 60 | MAT3(y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:59:5: note: in expansion of macro ‘MAT3’ 59 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxcopy_small’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:78:5: note: in expansion of macro ‘MAT3’ 78 | MAT3(y, *nx - 2, *ny - 2, *nz - 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:77:5: note: in expansion of macro ‘MAT3’ 77 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxcopy_large’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:99:5: note: in expansion of macro ‘MAT3’ 99 | MAT3(y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:98:5: note: in expansion of macro ‘MAT3’ 98 | MAT3(x, *nx - 2, *ny - 2, *nz - 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxaxpy’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:117:5: note: in expansion of macro ‘MAT3’ 117 | MAT3(y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:116:5: note: in expansion of macro ‘MAT3’ 116 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxnrm1’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:136:5: note: in expansion of macro ‘MAT3’ 136 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxnrm2’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:157:5: note: in expansion of macro ‘MAT3’ 157 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxdot’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_y’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:182:5: note: in expansion of macro ‘MAT3’ 182 | MAT3(y, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:181:5: note: in expansion of macro ‘MAT3’ 181 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vazeros’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:198:9: warning: unused variable ‘nproc’ [-Wunused-variable] 198 | int nproc = 1; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘VfboundPMG’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gzc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:218:5: note: in expansion of macro ‘MAT3’ 218 | MAT3(gzc, *nx, *ny, 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gyc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:217:5: note: in expansion of macro ‘MAT3’ 217 | MAT3(gyc, *nx, *nz, 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_gxc’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:216:5: note: in expansion of macro ‘MAT3’ 216 | MAT3(gxc, *ny, *nz, 2); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:215:5: note: in expansion of macro ‘MAT3’ 215 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘VfboundPMG00’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:262:5: note: in expansion of macro ‘MAT3’ 262 | MAT3( x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vaxrand’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:295:12: warning: variable ‘xdum’ set but not used [-Wunused-but-set-variable] 295 | double xdum; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:293:33: warning: variable ‘iflag’ set but not used [-Wunused-but-set-variable] 293 | int n, i, ii, ipara, ivect, iflag; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:293:26: warning: variable ‘ivect’ set but not used [-Wunused-but-set-variable] 293 | int n, i, ii, ipara, ivect, iflag; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vxscal’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_x’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:322:5: note: in expansion of macro ‘MAT3’ 322 | MAT3(x, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vprtmatd’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_ac’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:337:5: note: in expansion of macro ‘MAT2’ 337 | MAT2(ac, *nx * *ny * *nz, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vprtmatd7’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:370:5: note: in expansion of macro ‘MAT3’ 370 | MAT3(uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:369:5: note: in expansion of macro ‘MAT3’ 369 | MAT3(oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:368:5: note: in expansion of macro ‘MAT3’ 368 | MAT3(oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:367:5: note: in expansion of macro ‘MAT3’ 367 | MAT3(oC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c: In function ‘Vprtmatd27’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:415:5: note: in expansion of macro ‘MAT3’ 415 | MAT3(uSW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uSE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:414:5: note: in expansion of macro ‘MAT3’ 414 | MAT3(uSE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:413:5: note: in expansion of macro ‘MAT3’ 413 | MAT3(uNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:412:5: note: in expansion of macro ‘MAT3’ 412 | MAT3(uNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uS’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:411:5: note: in expansion of macro ‘MAT3’ 411 | MAT3( uS, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:410:5: note: in expansion of macro ‘MAT3’ 410 | MAT3( uN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:409:5: note: in expansion of macro ‘MAT3’ 409 | MAT3( uW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:408:5: note: in expansion of macro ‘MAT3’ 408 | MAT3( uE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNW’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:407:5: note: in expansion of macro ‘MAT3’ 407 | MAT3(oNW, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oNE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:406:5: note: in expansion of macro ‘MAT3’ 406 | MAT3(oNE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_uC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:405:5: note: in expansion of macro ‘MAT3’ 405 | MAT3( uC, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oN’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:404:5: note: in expansion of macro ‘MAT3’ 404 | MAT3( oN, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oE’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:403:5: note: in expansion of macro ‘MAT3’ 403 | MAT3( oE, *nx, *ny, *nz); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_oC’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c:402:5: note: in expansion of macro ‘MAT3’ 402 | MAT3( oC, *nx, *ny, *nz); | ^~~~ [ 40%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mlinpckd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c: In function ‘Vdpbsl’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_abd’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c:62:5: note: in expansion of macro ‘MAT2’ 62 | MAT2(abd, *lda, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c: In function ‘Vdpbfa’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_abd’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c:199:5: note: in expansion of macro ‘MAT2’ 199 | MAT2(abd, *lda, 1); | ^~~~ [ 41%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mypdec.c.o /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function ‘Vmypdefinitsmpbe’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:96:9: warning: unused variable ‘i’ [-Wunused-variable] 96 | int i; | ^ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function ‘Vc_vecsmpbe’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:223:26: warning: variable ‘ivect’ set but not used [-Wunused-but-set-variable] 223 | int n, i, ii, ipara, ivect; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:223:19: warning: variable ‘ipara’ set but not used [-Wunused-but-set-variable] 223 | int n, i, ii, ipara, ivect; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:223:15: warning: unused variable ‘ii’ [-Wunused-variable] 223 | int n, i, ii, ipara, ivect; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:222:9: warning: unused variable ‘iion’ [-Wunused-variable] 222 | int iion; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:219:28: warning: unused variable ‘fact’ [-Wunused-variable] 219 | double argument, poly, fact; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:219:22: warning: unused variable ‘poly’ [-Wunused-variable] 219 | double argument, poly, fact; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:219:12: warning: unused variable ‘argument’ [-Wunused-variable] 219 | double argument, poly, fact; | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:218:29: warning: unused variable ‘am_pos’ [-Wunused-variable] 218 | double am_zero, am_neg, am_pos; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:218:21: warning: unused variable ‘am_neg’ [-Wunused-variable] 218 | double am_zero, am_neg, am_pos; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:217:18: warning: unused variable ‘zu2’ [-Wunused-variable] 217 | double zcf2, zu2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:217:12: warning: unused variable ‘zcf2’ [-Wunused-variable] 217 | double zcf2, zu2; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:216:9: warning: unused variable ‘ideg’ [-Wunused-variable] 216 | int ideg; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function ‘Vdc_vec’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:345:9: warning: unused variable ‘n’ [-Wunused-variable] 345 | int n = *nx * *ny * *nz; | ^ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:344:9: warning: unused variable ‘i’ [-Wunused-variable] 344 | int i; | ^ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function ‘Vdc_vecpmg’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:360:28: warning: unused variable ‘fact’ [-Wunused-variable] 360 | double argument, poly, fact; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:360:22: warning: unused variable ‘poly’ [-Wunused-variable] 360 | double argument, poly, fact; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:357:9: warning: unused variable ‘ideg’ [-Wunused-variable] 357 | int ideg, iion; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c: In function ‘Vdc_vecsmpbe’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:433:16: warning: variable ‘ivect’ set but not used [-Wunused-but-set-variable] 433 | int ipara, ivect; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:433:9: warning: variable ‘ipara’ set but not used [-Wunused-but-set-variable] 433 | int ipara, ivect; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:432:15: warning: unused variable ‘ii’ [-Wunused-variable] 432 | int n, i, ii; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:429:28: warning: unused variable ‘fact’ [-Wunused-variable] 429 | double argument, poly, fact; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:429:22: warning: unused variable ‘poly’ [-Wunused-variable] 429 | double argument, poly, fact; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:429:12: warning: unused variable ‘argument’ [-Wunused-variable] 429 | double argument, poly, fact; | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:428:29: warning: unused variable ‘am_pos’ [-Wunused-variable] 428 | double am_zero, am_neg, am_pos; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:428:21: warning: unused variable ‘am_neg’ [-Wunused-variable] 428 | double am_zero, am_neg, am_pos; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:427:18: warning: unused variable ‘zu2’ [-Wunused-variable] 427 | double zcf2, zu2; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:427:12: warning: unused variable ‘zcf2’ [-Wunused-variable] 427 | double zcf2, zu2; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:426:15: warning: unused variable ‘iion’ [-Wunused-variable] 426 | int ideg, iion; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c:426:9: warning: unused variable ‘ideg’ [-Wunused-variable] 426 | int ideg, iion; | ^~~~ [ 42%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/newtond.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:56: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c: In function ‘Vfnewton’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:77:5: note: in expansion of macro ‘MAT2’ 77 | MAT2( iz, 50, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c: In function ‘Vnewton’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:187:5: note: in expansion of macro ‘MAT2’ 187 | MAT2(iz, 50, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c: In function ‘Vgetjac’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c:560:5: note: in expansion of macro ‘MAT2’ 560 | MAT2(iz, 50, 1); | ^~~~ [ 43%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/newdrvd.c.o /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c: In function ‘Vnewdriv’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:86:9: warning: unused variable ‘maxlev’ [-Wunused-variable] 86 | int maxlev; /// @todo: Doc | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:85:9: warning: unused variable ‘ierror’ [-Wunused-variable] 85 | int ierror; /// @todo: Doc | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c: In function ‘Vnewdriv2’: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:223:9: warning: unused variable ‘i’ [-Wunused-variable] 223 | int i; | ^ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:221:12: warning: unused variable ‘orsnrm_t’ [-Wunused-variable] 221 | double orsnrm_t; | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:220:12: warning: unused variable ‘rsden_t’ [-Wunused-variable] 220 | double rsden_t; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:219:12: warning: unused variable ‘rsnrm_t’ [-Wunused-variable] 219 | double rsnrm_t; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:218:9: warning: unused variable ‘iters_t’ [-Wunused-variable] 218 | int iters_t; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:217:9: warning: unused variable ‘iok_t’ [-Wunused-variable] 217 | int iok_t; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:215:9: warning: unused variable ‘numlev’ [-Wunused-variable] 215 | int numlev; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:210:12: warning: unused variable ‘tsolve’ [-Wunused-variable] 210 | double tsolve; /// @todo: Doc | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:209:12: warning: unused variable ‘tsetupc’ [-Wunused-variable] 209 | double tsetupc; /// @todo: Doc | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:208:12: warning: unused variable ‘tsetupf’ [-Wunused-variable] 208 | double tsetupf; /// @todo: Doc | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:207:12: warning: unused variable ‘oh’ [-Wunused-variable] 207 | double oh; /// @todo: Doc | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:206:12: warning: unused variable ‘bf’ [-Wunused-variable] 206 | double bf; /// @todo: Doc | ^~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:204:12: warning: variable ‘omegal’ set but not used [-Wunused-but-set-variable] 204 | double omegal; /// @todo: Doc | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c:202:12: warning: unused variable ‘epsmac’ [-Wunused-variable] 202 | double epsmac; /// @todo: Doc | ^~~~~~ [ 44%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/powerd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c: In function ‘Vpower’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:74:5: note: in expansion of macro ‘MAT2’ 74 | MAT2(iz, 50, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:71:9: warning: unused variable ‘skipIters’ [-Wunused-variable] 71 | int skipIters = 0; | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c: In function ‘Vipower’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:188:5: note: in expansion of macro ‘MAT2’ 188 | MAT2(iz, 50, 1); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c: In function ‘Vmpower’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c:311:5: note: in expansion of macro ‘MAT2’ 311 | MAT2(iz, 50, 1); | ^~~~ [ 45%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/smoothd.c.o [ 47%] Building C object src/pmgc/CMakeFiles/apbs_pmgc.dir/mgfasd.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h:57, from /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:55: /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c: In function ‘Vfmvfas’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:79:5: note: in expansion of macro ‘MAT2’ 79 | MAT2(iz, 50, *nlev); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:74:12: warning: variable ‘errd’ set but not used [-Wunused-but-set-variable] 74 | double errd; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c: In function ‘Vmvfas’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:66:9: warning: unused variable ‘dy_iz’ [-Wunused-variable] 66 | int dy_##mat = dy | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:182:5: note: in expansion of macro ‘MAT2’ 182 | MAT2(iz, 50, *nlev); | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:171:33: warning: unused variable ‘ivariv’ [-Wunused-variable] 171 | int itmax_s, iters_s, nuuu, ivariv, mgsmoo_s, iresid; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:254:13: warning: ‘rsden’ may be used uninitialized [-Wmaybe-uninitialized] 254 | if (rsden == 0.0) { | ^ /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c:176:12: note: ‘rsden’ was declared here 176 | double rsden, rsnrm, orsnrm; | ^~~~~ [ 47%] Built target apbs_pmgc [ 48%] Linking C shared library ../lib/libapbs.so [ 48%] Built target apbs [ 49%] Building C object src/CMakeFiles/apbs_routines.dir/routines.c.o /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘loadDielMaps’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:296:17: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 296 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:298:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 298 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:331:9: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 331 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:333:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 333 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:420:17: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 420 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:422:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 422 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:454:9: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 454 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:456:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 456 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘initMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1234:12: warning: variable ‘iparm’ set but not used [-Wunused-but-set-variable] 1234 | iparm, | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘energyMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1584:13: warning: variable ‘mgparm’ set but not used [-Wunused-but-set-variable] 1584 | MGparm *mgparm; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writematMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1803:10: warning: variable ‘mxtype’ set but not used [-Wunused-but-set-variable] 1803 | char mxtype[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printApolForce’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:3485:12: warning: variable ‘scalar’ set but not used [-Wunused-but-set-variable] 3485 | scalar, | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:3484:12: warning: variable ‘temp’ set but not used [-Wunused-but-set-variable] 3484 | double temp, | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘initAPOL’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4496:12: warning: variable ‘sav’ set but not used [-Wunused-but-set-variable] 4496 | sav, /**< @todo document */ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4495:12: warning: variable ‘sasa’ set but not used [-Wunused-but-set-variable] 4495 | double sasa, /**< @todo document */ | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4489:12: warning: unused variable ‘ts’ [-Wunused-variable] 4489 | time_t ts; /**< Temporary timing variable for debugging (PCE) */ | ^~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘forceAPOL’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4753:13: warning: unused variable ‘apos’ [-Wunused-variable] 4753 | *apos; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4737:46: warning: unused variable ‘ts_sub’ [-Wunused-variable] 4737 | time_t ts, ts_main, ts_sub; | ^~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64, from /builddir/build/BUILD/apbs-3.0.0/src/routines.c:54: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘initAPOL’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=] 4590 | atomData = Vparam_getAtomData(param, "WAT", "OW"); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type ‘char[1024]’ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=] /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type ‘char[1024]’ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.h:73, from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:73: /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function ‘Vparam_getAtomData’ 304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee, | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=] 4591 | if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O"); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type ‘char[1024]’ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=] /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type ‘char[1024]’ /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function ‘Vparam_getAtomData’ 304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee, | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writematMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:34: warning: ‘-PE’ directive writing 3 bytes into a region of size between 1 and 1024 [-Wformat-overflow=] 1826 | sprintf(writematstem, "%s-PE%d", pbeparm->writematstem,nosh->proc_rank); | ^~~ In file included from /usr/include/stdio.h:964, from /usr/include/maloc/maloc_base.h:80, from /usr/include/maloc/maloc.h:38, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:67: In function ‘sprintf’, inlined from ‘writematMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:9: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1038 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writematMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:30: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 1840 | sprintf(outpath, "%s.%s", writematstem, "mat"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writematMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:9: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataFlat’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2105:33: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2105 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1906:44: note: ‘scalar’ was declared here 1906 | double conversion, ltenergy, gtenergy, scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataXML’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2363:33: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2363 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2140:44: note: ‘scalar’ was declared here 2140 | double conversion, ltenergy, gtenergy, scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:30: warning: ‘%s’ directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2676 | sprintf(outpath, "%s.%s", writestem, "dxbin"); | ^~ ~~~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:9: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 7 and 1030 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:38: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2720 | sprintf(outpath, "%s.%s", writestem, "txt"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:38: warning: ‘%s’ directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2711 | sprintf(outpath, "%s.%s", writestem, "dx.gz"); | ^~ ~~~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 7 and 1030 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:38: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2694 | sprintf(outpath, "%s.%s", writestem, "mcsf"); | ^~ ~~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 6 and 1029 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:38: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2687 | sprintf(outpath, "%s.%s", writestem, "ucd"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:38: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2701 | sprintf(outpath, "%s.%s", writestem, "grd"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:38: warning: ‘%s’ directive writing 2 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2666 | sprintf(outpath, "%s.%s", writestem, "dx"); | ^~ ~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 4 and 1027 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘returnEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2778:29: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2778 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2762:12: note: ‘scalar’ was declared here 2762 | scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2839:29: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2839 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2795:12: note: ‘scalar’ was declared here 2795 | scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printElecEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2904:29: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2904 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2863:12: note: ‘scalar’ was declared here 2863 | scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printApolEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2970:18: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2970 | gtenergy += (scalar * ((apolparm->gamma*apolparm->sasa) + | ~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2971 | (apolparm->press*apolparm->sav) + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2972 | (apolparm->wcaEnergy))); | ~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2925:12: note: ‘scalar’ was declared here 2925 | scalar; | ^~~~~~ [ 49%] Built target apbs_routines [ 50%] Building C object src/CMakeFiles/apbs-bin.dir/main.c.o /builddir/build/BUILD/apbs-3.0.0/src/main.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/src/main.c:117:11: warning: unused variable ‘gm’ [-Wunused-variable] 117 | void *gm[NOSH_MAXMOL]; | ^~ /builddir/build/BUILD/apbs-3.0.0/src/main.c:116:11: warning: variable ‘fetk’ set but not used [-Wunused-but-set-variable] 116 | void *fetk[NOSH_MAXCALC]; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/main.c:96:18: warning: unused variable ‘geoflowparm’ [-Wunused-variable] 96 | GEOFLOWparm *geoflowparm = VNULL; | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/main.c:92:14: warning: unused variable ‘feparm’ [-Wunused-variable] 92 | FEMparm *feparm = VNULL; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/main.c:86:17: warning: unused variable ‘te’ [-Wunused-variable] 86 | clock_t ts, te; | ^~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64, from /builddir/build/BUILD/apbs-3.0.0/src/main.c:70: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 51%] Building C object src/CMakeFiles/apbs-bin.dir/routines.c.o /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘loadDielMaps’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:296:17: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 296 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:298:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 298 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:331:9: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 331 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:333:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 333 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:420:17: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 420 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:422:21: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 422 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:454:9: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation] 454 | for (ii=0; ii<(nx*ny*nz); ii++) | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:456:11: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’ 456 | sum = sum*hx*hy*hzed; | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘initMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1234:12: warning: variable ‘iparm’ set but not used [-Wunused-but-set-variable] 1234 | iparm, | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘energyMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1584:13: warning: variable ‘mgparm’ set but not used [-Wunused-but-set-variable] 1584 | MGparm *mgparm; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writematMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1803:10: warning: variable ‘mxtype’ set but not used [-Wunused-but-set-variable] 1803 | char mxtype[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printApolForce’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:3485:12: warning: variable ‘scalar’ set but not used [-Wunused-but-set-variable] 3485 | scalar, | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:3484:12: warning: variable ‘temp’ set but not used [-Wunused-but-set-variable] 3484 | double temp, | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘initAPOL’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4496:12: warning: variable ‘sav’ set but not used [-Wunused-but-set-variable] 4496 | sav, /**< @todo document */ | ^~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4495:12: warning: variable ‘sasa’ set but not used [-Wunused-but-set-variable] 4495 | double sasa, /**< @todo document */ | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4489:12: warning: unused variable ‘ts’ [-Wunused-variable] 4489 | time_t ts; /**< Temporary timing variable for debugging (PCE) */ | ^~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘forceAPOL’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4753:13: warning: unused variable ‘apos’ [-Wunused-variable] 4753 | *apos; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4737:46: warning: unused variable ‘ts_sub’ [-Wunused-variable] 4737 | time_t ts, ts_main, ts_sub; | ^~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64, from /builddir/build/BUILD/apbs-3.0.0/src/routines.c:54: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘initAPOL’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=] 4590 | atomData = Vparam_getAtomData(param, "WAT", "OW"); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 2 of type ‘char[1024]’ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 3 [-Wstringop-overflow=] /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4590:20: note: referencing argument 3 of type ‘char[1024]’ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.h:73, from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:73: /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function ‘Vparam_getAtomData’ 304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee, | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 4 [-Wstringop-overflow=] 4591 | if (atomData == VNULL) atomData = Vparam_getAtomData(param, "WAT", "O"); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 2 of type ‘char[1024]’ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: warning: ‘Vparam_getAtomData’ accessing 1024 bytes in a region of size 2 [-Wstringop-overflow=] /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4591:43: note: referencing argument 3 of type ‘char[1024]’ /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:304:27: note: in a call to function ‘Vparam_getAtomData’ 304 | VEXTERNC Vparam_AtomData* Vparam_getAtomData(Vparam *thee, | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writematMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:34: warning: ‘-PE’ directive writing 3 bytes into a region of size between 1 and 1024 [-Wformat-overflow=] 1826 | sprintf(writematstem, "%s-PE%d", pbeparm->writematstem,nosh->proc_rank); | ^~~ In file included from /usr/include/stdio.h:964, from /usr/include/maloc/maloc_base.h:80, from /usr/include/maloc/maloc.h:38, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:67: In function ‘sprintf’, inlined from ‘writematMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1826:9: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1038 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writematMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:30: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 1840 | sprintf(outpath, "%s.%s", writematstem, "mat"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writematMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1840:9: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataFlat’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2105:33: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2105 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:1906:44: note: ‘scalar’ was declared here 1906 | double conversion, ltenergy, gtenergy, scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataXML’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2363:33: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2363 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2140:44: note: ‘scalar’ was declared here 2140 | double conversion, ltenergy, gtenergy, scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:30: warning: ‘%s’ directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2676 | sprintf(outpath, "%s.%s", writestem, "dxbin"); | ^~ ~~~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2676:9: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 7 and 1030 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:38: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2720 | sprintf(outpath, "%s.%s", writestem, "txt"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2720:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:38: warning: ‘%s’ directive writing 5 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2711 | sprintf(outpath, "%s.%s", writestem, "dx.gz"); | ^~ ~~~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2711:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 7 and 1030 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:38: warning: ‘%s’ directive writing 4 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2694 | sprintf(outpath, "%s.%s", writestem, "mcsf"); | ^~ ~~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2694:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 6 and 1029 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:38: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2687 | sprintf(outpath, "%s.%s", writestem, "ucd"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2687:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:38: warning: ‘%s’ directive writing 3 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2701 | sprintf(outpath, "%s.%s", writestem, "grd"); | ^~ ~~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2701:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 5 and 1028 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘writedataMG’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:38: warning: ‘%s’ directive writing 2 bytes into a region of size between 0 and 1023 [-Wformat-overflow=] 2666 | sprintf(outpath, "%s.%s", writestem, "dx"); | ^~ ~~~~ In function ‘sprintf’, inlined from ‘writedataMG’ at /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2666:17: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 4 and 1027 bytes into a destination of size 1024 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘returnEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2778:29: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2778 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2762:12: note: ‘scalar’ was declared here 2762 | scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2839:29: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2839 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2795:12: note: ‘scalar’ was declared here 2795 | scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printElecEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2904:29: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2904 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2863:12: note: ‘scalar’ was declared here 2863 | scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c: In function ‘printApolEnergy’: /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2970:18: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 2970 | gtenergy += (scalar * ((apolparm->gamma*apolparm->sasa) + | ~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2971 | (apolparm->press*apolparm->sav) + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2972 | (apolparm->wcaEnergy))); | ~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/routines.c:2925:12: note: ‘scalar’ was declared here 2925 | scalar; | ^~~~~~ [ 52%] Linking C executable ../bin/apbs [ 52%] Built target apbs-bin [ 54%] Generating documentation with Doxygen warning: Tag 'TCL_SUBST' at line 213 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'COLS_IN_ALPHA_INDEX' at line 857 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'HTML_TIMESTAMP' at line 953 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'FORMULA_TRANSPARENT' at line 1175 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'LATEX_SOURCE_CODE' at line 1313 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'PERL_PATH' at line 1565 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'CLASS_DIAGRAMS' at line 1577 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'MSCGEN_PATH' at line 1586 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTNAME' at line 1616 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTSIZE' at line 1621 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_TRANSPARENT' at line 1770 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: tag INPUT: input source '/builddir/build/BUILD/apbs-3.0.0/doc/license/LICENSE.txt' does not exist warning: source '/builddir/build/BUILD/apbs-3.0.0/doc/license/LICENSE.txt' is not a readable file or directory... skipping. Doxygen version used: 1.9.8 Searching for include files... Searching for example files... Searching for images... Searching for dot files... Searching for msc files... Searching for dia files... Searching for files to exclude Searching INPUT for files to process... Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/pmgc Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/mg Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/generic Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/fem Reading and parsing tag files Parsing files Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/apbs.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/apbs.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c... 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Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/myp/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.h:7: warning: the name 'beparm.h' supplied as the argument in the \file statement is not an input file dec.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/routines.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/routines.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/routines.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/routines.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating images for formulas in HTML... Generating image form_0.png for formula Generating image form_1.png for formula Generating image form_2.png for formula Generating image form_3.png for formula Generating image form_4.png for formula Generating image form_5.png for formula Generating image form_6.png for formula Generating image form_7.png for formula Generating image form_8.png for formula Generating image form_9.png for formula Generating image form_10.png for formula Generating image form_11.png for formula Generating image form_12.png for formula Generating image form_13.png for formula Generating image form_14.png for formula Generating image form_15.png for formula Generating image form_16.png for formula Generating image form_17.png for formula Generating image form_18.png for formula Generating image form_19.png for formula Generating image form_20.png for formula Generating image form_21.png for formula Generating image form_22.png for formula Generating image form_23.png for formula Generating image form_24.png for formula Generating image form_25.png for formula Generating image form_26.png for formula Generating image form_27.png for formula Generating image form_28.png for formula Generating image form_29.png for formula Generating image form_30.png for formula Generating image form_31.png for formula Generating image form_32.png for formula Generating image form_33.png for formula Generating image form_34.png for formula Generating image form_35.png for formula Generating image form_36.png for formula Generating image form_37.png for formula Generating image form_38.png for formula Generating image form_39.png for formula Generating image form_40.png for formula Generating image form_41.png for formula Generating image form_42.png for formula Generating image form_43.png for formula Generating image form_44.png for formula Generating image form_45.png for formula Generating image form_46.png for formula Generating image form_47.png for formula Generating image form_48.png for formula Generating image form_49.png for formula Generating image form_50.png for formula Generating image form_51.png for formula Generating image form_52.png for formula Generating image form_53.png for formula Generating image form_54.png for formula Generating image form_55.png for formula Generating image form_56.png for formula Generating image form_57.png for formula Generating image form_58.png for formula Generating image form_59.png for formula Generating image form_60.png for formula Generating image form_61.png for formula Generating image form_62.png for formula Generating image form_63.png for formula Generating image form_64.png for formula Generating image form_0_dark.png for formula Generating image form_1_dark.png for formula Generating image form_2_dark.png for formula Generating image form_3_dark.png for formula Generating image form_4_dark.png for formula Generating image form_5_dark.png for formula Generating image form_6_dark.png for formula Generating image form_7_dark.png for formula Generating image form_8_dark.png for formula Generating image form_9_dark.png for formula Generating image form_10_dark.png for formula Generating image form_11_dark.png for formula Generating image form_12_dark.png for formula Generating image form_13_dark.png for formula Generating image form_14_dark.png for formula Generating image form_15_dark.png for formula Generating image form_16_dark.png for formula Generating image form_17_dark.png for formula Generating image form_18_dark.png for formula Generating image form_19_dark.png for formula Generating image form_20_dark.png for formula Generating image form_21_dark.png for formula Generating image form_22_dark.png for formula Generating image form_23_dark.png for formula Generating image form_24_dark.png for formula Generating image form_25_dark.png for formula Generating image form_26_dark.png for formula Generating image form_27_dark.png for formula Generating image form_28_dark.png for formula Generating image form_29_dark.png for formula Generating image form_30_dark.png for formula Generating image form_31_dark.png for formula Generating image form_32_dark.png for formula Generating image form_33_dark.png for formula Generating image form_34_dark.png for formula Generating image form_35_dark.png for formula Generating image form_36_dark.png for formula Generating image form_37_dark.png for formula Generating image form_38_dark.png for formula Generating image form_39_dark.png for formula Generating image form_40_dark.png for formula Generating image form_41_dark.png for formula Generating image form_42_dark.png for formula Generating image form_43_dark.png for formula Generating image form_44_dark.png for formula Generating image form_45_dark.png for formula Generating image form_46_dark.png for formula Generating image form_47_dark.png for formula Generating image form_48_dark.png for formula Generating image form_49_dark.png for formula Generating image form_50_dark.png for formula Generating image form_51_dark.png for formula Generating image form_52_dark.png for formula Generating image form_53_dark.png for formula Generating image form_54_dark.png for formula Generating image form_55_dark.png for formula Generating image form_56_dark.png for formula Generating image form_57_dark.png for formula Generating image form_58_dark.png for formula Generating image form_59_dark.png for formula Generating image form_60_dark.png for formula Generating image form_61_dark.png for formula Generating image form_62_dark.png for formula Generating image form_63_dark.png for formula Generating image form_64_dark.png for formula Generating example documentation... Generating file sources... Generating code for file doc/programmer/mainpage.h... Generating code for file src/apbs.h... Generating code for file src/fem/vcsm.c... Generating code for file src/fem/vcsm.h... Generating code for file src/fem/vfetk.c... Generating code for file src/fem/vfetk.h... Generating code for file src/fem/vpee.c... Generating code for file src/fem/vpee.h... Generating code for file src/generic/apolparm.c... Generating code for file src/generic/apolparm.h... Generating code for file src/generic/bemparm.c... Generating code for file src/generic/bemparm.h... Generating code for file src/generic/femparm.c... Generating code for file src/generic/femparm.h... Generating code for file src/generic/geoflowparm.c... Generating code for file src/generic/geoflowparm.h... Generating code for file src/generic/mgparm.c... Generating code for file src/generic/mgparm.h... Generating code for file src/generic/nosh.c... Generating code for file src/generic/nosh.h... Generating code for file src/generic/pbamparm.c... Generating code for file src/generic/pbamparm.h... Generating code for file src/generic/pbeparm.c... Generating code for file src/generic/pbeparm.h... Generating code for file src/generic/pbsamparm.c... Generating code for file src/generic/pbsamparm.h... Generating code for file src/generic/vacc.c... Generating code for file src/generic/vacc.h... Generating code for file src/generic/valist.c... Generating code for file src/generic/valist.h... Generating code for file src/generic/vatom.c... Generating code for file src/generic/vatom.h... Generating code for file src/generic/vcap.c... Generating code for file src/generic/vcap.h... Generating code for file src/generic/vclist.c... Generating code for file src/generic/vclist.h... Generating code for file src/generic/vgreen.c... Generating code for file src/generic/vgreen.h... Generating code for file src/generic/vhal.h... Generating code for file src/generic/vmatrix.h... Generating code for file src/generic/vparam.c... Generating code for file src/generic/vparam.h... Generating code for file src/generic/vpbe.c... Generating code for file src/generic/vpbe.h... Generating code for file src/generic/vstring.c... Generating code for file src/generic/vstring.h... Generating code for file src/generic/vunit.h... Generating code for file src/main.c... Generating code for file src/mg/vgrid.c... Generating code for file src/mg/vgrid.h... Generating code for file src/mg/vmgrid.c... Generating code for file src/mg/vmgrid.h... Generating code for file src/mg/vopot.c... Generating code for file src/mg/vopot.h... Generating code for file src/mg/vpmg.c... Generating code for file src/mg/vpmg.h... Generating code for file src/mg/vpmgp.c... Generating code for file src/mg/vpmgp.h... Generating code for file src/pmgc/buildAd.c... Generating code for file src/pmgc/buildAd.h... Generating code for file src/pmgc/buildBd.c... Generating code for file src/pmgc/buildBd.h... Generating code for file src/pmgc/buildGd.c... Generating code for file src/pmgc/buildGd.h... Generating code for file src/pmgc/buildPd.c... Generating code for file src/pmgc/buildPd.h... Generati/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:2095: warning: Member polyEval(int numP, double p[], double c[][VMAXP], double xv[]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1528: warning: Member Vfetk_PDE_initElement(PDE *thee, int elementType, int chart, double tvx[][3], void *data) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1571: warning: Member Vfetk_PDE_initPoint(PDE *thee, int pointType, int chart, double txq[], double tU[], double tdU[][3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1741: warning: Member Vfetk_PDE_DFu_wv(PDE *thee, int key, double W[], double dW[][VAPBS_DIM], double V[], double dV[][3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1902: warning: Member Vfetk_PDE_bisectEdge(int dim, int dimII, int edgeType, int chart[], double vx[][3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1912: warning: Member Vfetk_PDE_mapBoundary(int dim, int dimII, int vertexType, int chart, double vx[3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1917: warning: Member Vfetk_PDE_markSimplex(int dim, int dimII, int simplexType, int faceType[VAPBS_NVS], int vertexType[VAPBS_NVS], int chart[], double vx[][3], void *simplex) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1998: warning: Member Vfetk_PDE_oneChart(int dim, int dimII, int objType, int chart[], double vx[][3], int dimV) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:86: warning: Member var (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:93: warning: Member diriCubeString (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:130: warning: Member neumCubeString (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:366: warning: Member dim_2DP1 (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:386: warning: Member lgr_2DP1[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:395: warning: Member lgr_2DP1x[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:402: warning: Member lgr_2DP1y[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:409: warning: Member lgr_2DP1z[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:437: warning: Member dim_3DP1 (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:438: warning: Member lgr_3DP1[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:446: warning: Member lgr_3DP1x[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:454: warning: Member lgr_3DP1y[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:462: warning: Member lgr_3DP1z[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:476: warning: Member P_DEG (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:482: warning: Member numP (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:483: warning: Member c[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:484: warning: Member cx[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:485: warning: Member cy[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:486: warning: Member cz[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.h:207: warning: Member Vfetk (typedef) of file vfetk.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:498: warning: Member Vpee_userDefined(Vpee *thee, SS *sm) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:532: warning: Member Vpee_ourSimp(Vpee *thee, SS *sm, int rcol) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:66: warning: Member Aprx_estNonlinResid(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:72: warning: Member Aprx_estLocalProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:77: warning: Member Aprx_estDualProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:237: warning: Member APOLparm_parseGRID(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:268: warning: Member APOLparm_parseMOL(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:287: warning: Member APOLparm_parseSRFM(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:309: warning: Member APOLparm_parseSRAD(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:328: warning: Member APOLparm_parseSWIN(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:347: warning: Member APOLparm_parseTEMP(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:366: warning: Member APOLparm_parseGAMMA(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:385: warning: Member APOLparm_parseCALCENERGY(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:438: warning: Member APOLparm_parseCALCFORCE(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:491: warning: Member APOLparm_parseBCONC(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:510: warning: Member APOLparm_parseSDENS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:529: warning: Member APOLparm_parseDPOS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:558: warning: Member APOLparm_parsePRESS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:210: warning: Member BEMparm_parseTREE_ORDER(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:233: warning: Member BEMparm_parseTREE_N0(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:256: warning: Member BEMparm_parseMAC(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:279: warning: Member BEMparm_parseMESH(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:308: warning: Member BEMparm_parseOUTDATA(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:196: warning: Member FEMparm_parseDOMAINLENGTH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:221: warning: Member FEMparm_parseETOL(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:244: warning: Member FEMparm_parseEKEY(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:276: warning: Member FEMparm_parseAKEYPRE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:303: warning: Member FEMparm_parseAKEYSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:333: warning: Member FEMparm_parseTARGETNUM(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:352: warning: Member FEMparm_parseTARGETRES(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:372: warning: Member FEMparm_parseMAXSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:391: warning: Member FEMparm_parseMAXVERT(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:411: warning: Member FEMparm_parseUSEMESH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.h:182: warning: Member FEMparm (typedef) of file femparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:138: warning: Member FUBAR(const char *name) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:143: warning: Member parseNonNeg(double *tf, double def, int *set, char *name, Vio *sock) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:164: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:186: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:415: warning: Member MGparm_parseDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:446: warning: Member MGparm_parseCHGM(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:497: warning: Member MGparm_parseNLEV(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:516: warning: Member MGparm_parseETOL(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:539: warning: Member MGparm_parseGRID(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:570: warning: Member MGparm_parseGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:601: warning: Member MGparm_parseGAMMA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:616: warning: Member MGparm_parseGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:668: warning: Member MGparm_parseCGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:699: warning: Member MGparm_parseFGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:730: warning: Member MGparm_parseCGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:782: warning: Member MGparm_parseFGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:834: warning: Member MGparm_parsePDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:872: warning: Member MGparm_parseOFRAC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:892: warning: Member MGparm_parseASYNC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:912: warning: Member MGparm_parseUSEAQUA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.h:203: warning: Member MGparm (typedef) of file mgparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:970: warning: Member NOsh_parseREAD(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1021: warning: Member NOsh_parsePRINT(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1187: warning: Member NOsh_parseELEC(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1313: warning: Member NOsh_parseAPOLAR(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2385: warning: Member NOsh_parseFEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1510: warning: Member NOsh_parseMG(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2845: warning: Member NOsh_parseBEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2934: warning: Member NOsh_parseGEOFLOW(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3048: warning: Member NOsh_parsePBAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3166: warning: Member NOsh_parsePBSAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2508: warning: Member NOsh_parseAPOL(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1603: warning: Member NOsh_setupCalcMG(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1815: warning: Member NOsh_setupCalcMGAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1747: warning: Member NOsh_setupCalcMGMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2090: warning: Member NOsh_setupCalcMGPARA(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1722: warning: Member NOsh_setupCalcFEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2471: warning: Member NOsh_setupCalcFEMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1638: warning: Member NOsh_setupCalcBEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1666: warning: Member NOsh_setupCalcGEOFLOW(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1686: warning: Member NOsh_setupCalcPBAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1704: warning: Member NOsh_setupCalcPBSAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2612: warning: Member NOsh_setupCalcBEMMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2677: warning: Member NOsh_setupCalcGEOFLOWMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2735: warning: Member NOsh_setupCalcPBAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2786: warning: Member NOsh_setupCalcPBSAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2581: warning: Member NOsh_setupCalcAPOL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:598: warning: Member NOsh_parseREAD_MOL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:675: warning: Member NOsh_parseREAD_PARM(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:739: warning: Member NOsh_parseREAD_DIEL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:793: warning: Member NOsh_parseREAD_KAPPA(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:839: warning: Member NOsh_parseREAD_POTENTIAL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:884: warning: Member NOsh_parseREAD_CHARGE(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:930: warning: Member NOsh_parseREAD_MESH(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:188: warning: Member NOsh_calc (typedef) of file nosh.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:458: warning: Member PBAMparm_parseNtraj(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:549: warning: Member PBAMparm_parseTerm(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:77: warning: Member PBAMPARM_MAXWRITE (macro definition) of file pbamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:78: warning: Member PBAMPARM_MAXMOL (macro definition) of file pbamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:87: warning: Member PBEparm_getzmem(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:91: warning: Member PBEparm_getLmem(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:95: warning: Member PBEparm_getmembraneDiel(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:99: warning: Member PBEparm_getmemv(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:368: warning: Member PBEparm_parseLPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:375: warning: Member PBEparm_parseNPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:382: warning: Member PBEparm_parseMOL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:401: warning: Member PBEparm_parseLRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:408: warning: Member PBEparm_parseNRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:415: warning: Member PBEparm_parseSMPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:474: warning: Member PBEparm_parseBCFL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:555: warning: Member PBEparm_parseION(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:652: warning: Member PBEparm_parsePDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:671: warning: Member PBEparm_parseSDENS(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:690: warning: Member PBEparm_parseSDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:709: warning: Member PBEparm_parseSRFM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:780: warning: Member PBEparm_parseSRAD(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:799: warning: Member PBEparm_parseSWIN(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:818: warning: Member PBEparm_parseTEMP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:837: warning: Member PBEparm_parseUSEMAP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:895: warning: Member PBEparm_parseCALCENERGY(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:948: warning: Member PBEparm_parseCALCFORCE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1005: warning: Member PBEparm_parseZMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1025: warning: Member PBEparm_parseLMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1044: warning: Member PBEparm_parseMDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1063: warning: Member PBEparm_parseMEMV(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1084: warning: Member PBEparm_parseWRITE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1178: warning: Member PBEparm_parseWRITEMAT(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:77: warning: Member PBSAMPARM_MAXWRITE (macro definition) of file pbsamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:78: warning: Member PBSAMPARM_MAXMOL (macro definition) of file pbsamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:277: warning: Member Vacc_vdwAcc(Vacc *thee, double center[3]) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:307: warning: Member Vacc_ivdwAcc(Vacc *thee, double center[3], double radius) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:679: warning: Member Vacc_writeGMV(Vacc *thee, double radius, int meth, Gem *gm, char *iodev, char *iofmt, char *iohost, char *iofile) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1252: warning: Member Vacc_SASAPos(Vacc *thee, double radius) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1277: warning: Member Vacc_atomSASAPos(Vacc *thee, double radius, Vatom *atom, int mode) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:76: warning: The following parameter of ivdwAccExclus(Vacc *thee, double center[3], double radius, int atomID) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:490: warning: The following parameter of splineAcc(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, VclistCell *cell) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:186: warning: Member Valist_readPDBSerial(Valist *thee, Vio *sock, int *serial) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:206: warning: Member Valist_readPDBAtomName(Valist *thee, Vio *sock, char atomName[VMAX_ARGLEN]) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:224: warning: Member Valist_readPDBResidueName(Valist *thee, Vio *sock, char resName[VMAX_ARGLEN]) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:242: warning: Member Valist_readPDBResidueNumber(Valist *thee, Vio *sock, int *resSeq) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:298: warning: Member Valist_readPDBAtomCoord(Valist *thee, Vio *sock, double *coord) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:316: warning: Member Valist_readPDBChargeRadius(Valist *thee, Vio *sock, double *charge, double *radius) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:344: warning: Member Valist_readPDB_throughXYZ(Valist *thee, Vio *sock, int *serial, char atomName[VMAX_ARGLEN], char resName[VMAX_ARGLEN], int *resSeq, double *x, double *y, double *z) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:424: warning: Member Valist_getAtomStorage(Valist *thee, Vatom **plist, int *pnlist, int *pnatoms) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:480: warning: Member Valist_setAtomArray(Valist *thee, Vatom **plist, int nlist, int natoms) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:60: warning: Member Valist_whiteChars (variable) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:61: warning: Member Valist_commChars (variable) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:62: warning: Member Valist_xmlwhiteChars (variable) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:128: warning: Member VCLIST_INFLATE (macro definition) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:90: warning: Member Vclist_getMolDims(Vclist *thee, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM], double *r_max) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:125: warning: Member Vclist_setupGrid(Vclist *thee) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:174: warning: Member Vclist_storeParms(Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:231: warning: Member Vclist_gridSpan(Vclist *thee, Vatom *atom, int imin[VAPBS_DIM], int imax[VAPBS_DIM]) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:262: warning: Member Vclist_arrayIndex(Vclist *thee, int i, int j, int k) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:270: warning: Member Vclist_assignAtoms(Vclist *thee) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.h:94: warning: Member Vclist_DomainMode (typedef) of file vclist.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:425: warning: Member treesetup(Vgreen *thee) (function) of file vgreen.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:505: warning: Member treecleanup(Vgreen *thee) (function) of file vgreen.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:525: warning: Member treecalc(Vgreen *thee, double *xtar, double *ytar, double *ztar, double *qtar, int numtars, double *tpengtar, double *x, double *y, double *z, double *q, int numpars, double *fx, double *fy, double *fz, int iflag, int farrdim, int arrdim) (function) of file vgreen.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:458: warning: Member MAX_HASH_DIM (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:572: warning: Member OS_SEP_STR (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:573: warning: Member OS_SEP_CHAR (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:600: warning: Member ANNOUNCE_FUNCTION (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:601: warning: Member WARN_UNTESTED (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:602: warning: Member WARN_PARTTESTED (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:653: warning: Member VCHANNELEDMESSAGE0(channel, msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:658: warning: Member VCHANNELEDMESSAGE1(channel, msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:665: warning: Member VCHANNELEDMESSAGE2(channel, msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:672: warning: Member VCHANNELEDMESSAGE3(channel, msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:679: warning: Member VMESSAGE0(msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:680: warning: Member VMESSAGE1(msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:681: warning: Member VMESSAGE2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:682: warning: Member VMESSAGE3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:684: warning: Member VERRMSG0(msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:685: warning: Member VERRMSG1(msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:686: warning: Member VERRMSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:687: warning: Member VERRMSG3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:731: warning: Member VASSERT_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:741: warning: Member VASSERT_MSG1(cnd, msg, arg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:753: warning: Member VASSERT_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:825: warning: Member VWARN_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:838: warning: Member VWARN_MSG1(cnd, msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:853: warning: Member VWARN_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:899: warning: Member VABORT_MSG0(msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:907: warning: Member VABORT_MSG1(msg, arg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:917: warning: Member VABORT_MSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:944: warning: Member PRINT_INT(expr) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:945: warning: Member PRINT_DBL(expr) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:948: warning: Member VMALLOC(vmem, n, type) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:950: warning: Member VFREE(vmem, n, type, ptr) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:952: warning: Member VFILL(vec, n, val) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:959: warning: Member VCOPY(srcvec, dstvec, i, n) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:968: warning: Member VAT(array, i) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:969: warning: Member RAT(array, i) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:73: warning: Member Vrc_Codes (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:95: warning: Member Vsol_Meth (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:133: warning: Member Vsurf_Meth (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:244: warning: Member Vchrg_Meth (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:262: warning: Member Vchrg_Src (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:302: warning: Member Vdata_Type (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:323: warning: Member Vdata_Format (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:966: warning: Member wrap_text(char *str, int right_margin, int left_padding) (function) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:64: warning: Member MAT2(mat, dx, dy) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:68: warning: Member RAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:71: warning: Member VAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:76: warning: Member MAT3(mat, dx, dy, dz) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:81: warning: Member RAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:84: warning: Member VAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:127: warning: Member Vparam_ResData (typedef) of file vparam.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:147: warning: Member Vparam (typedef) of file vparam.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.c:62: warning: Member MAX_SPLINE_WINDOW (macro definition) of file vpbe.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:67: warning: Member IJK(i, j, k) (macro definition) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:77: warning: Member MCwhiteChars (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:78: warning: Member MCcommChars (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:79: warning: Member Vcompare (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:80: warning: Member Vprecision[26] (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:113: warning: Member IJK(i, j, k) (macro definition) of file vopot.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1401: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2828: warning: Member bcCalcOrig(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3130: warning: Member gridPointIsValid(int i, int j, int k, int nx, int ny, int nz) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3313: warning: Member packAtoms(double *ax, double *ay, double *az, double *charge, double *size, Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3338: warning: Member packUnpack(int nx, int ny, int nz, int ngrid, double *gx, double *gy, double *gz, double *value, Vpmg *thee, int pack) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3407: warning: Member bcflnew(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3597: warning: Member bcfl_sdh(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3868: warning: Member bcfl_mdh(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3995: warning: Member bcfl_mem(double zmem, double L, double eps_m, double eps_w, double V, double xkappa, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4174: warning: Member bcfl_map(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6684: warning: Member markFrac(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *xarray, double *yarray, double *zarray) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10260: warning: Member fillcoPermanentInduced(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1056: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented: parameter 'size' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1362: warning: argument 'hz' of command @param is not found in the argument list of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1362: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented: parameter 'rtot' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1107: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented: parameter 'r' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1315: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1325: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1335: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:995: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1006: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1017: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1029: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented: parameter 'srfm' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1348: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented: parameter 'thee' parameter 'solution' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:105: warning: Member VPMGMAXPART (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1392: warning: Member VCUB(x) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1393: warning: Member VLOG(x) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1395: warning: Member IJK(i, j, k) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1396: warning: Member IJKx(j, k, i) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1397: warning: Member IJKy(i, k, j) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1398: warning: Member IJKz(i, j, k) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1399: warning: Member VFCHI(iint, iflt) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1056: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented: parameter 'size' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1362: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented: parameter 'rtot' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1107: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented: parameter 'r' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1315: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1325: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1335: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:995: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1006: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1017: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1029: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented: parameter 'srfm' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1348: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented: parameter 'thee' parameter 'solution' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c:294: warning: Member coarsenThis(int nOld) (function) of file vpmgp.c is not documented. ng code for file src/pmgc/cgd.c... Generating code for file src/pmgc/cgd.h... Generating code for file src/pmgc/gsd.c... Generating code for file src/pmgc/gsd.h... Generating code for file src/pmgc/matvecd.c... Generating code for file src/pmgc/matvecd.h... Generating code for file src/pmgc/mgcsd.c... Generating code for file src/pmgc/mgcsd.h... Generating code for file src/pmgc/mgdrvd.c... Generating code for file src/pmgc/mgdrvd.h... Generating code for file src/pmgc/mgfasd.c... Generating code for file src/pmgc/mgfasd.h... Generating code for file src/pmgc/mgsubd.c... Generating code for file src/pmgc/mgsubd.h... Generating code for file src/pmgc/mikpckd.c... Generating code for file src/pmgc/mikpckd.h... Generating code for file src/pmgc/mlinpckd.c... Generating code for file src/pmgc/mlinpckd.h... Generating code for file src/pmgc/mypdec.c... Generating code for file src/pmgc/mypdec.h... Generating code for file src/pmgc/newdrvd.c... Generating code for file src/pmgc/newdrvd.h... 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Generating docs for file src/generic/geoflowparm.h... Generating docs for file src/generic/mgparm.c... Generating docs for file src/generic/mgparm.h... Generating docs for file src/generic/nosh.c... Generating docs for file src/generic/nosh.h... Generating docs for file src/generic/pbamparm.c... Generating docs for file src/generic/pbamparm.h... Generating docs for file src/generic/pbeparm.c... Generating docs for file src/generic/pbeparm.h... Generating docs for file src/generic/pbsamparm.c... Generating docs for file src/generic/pbsamparm.h... Generating docs for file src/generic/vacc.c... Generating docs for file src/generic/vacc.h... Generating docs for file src/generic/valist.c... Generating docs for file src/generic/valist.h... Generating docs for file src/generic/vatom.c... Generating docs for file src/generic/vatom.h... Generating docs for file src/generic/vcap.c... Generating docs for file src/generic/vcap.h... Generating docs for file src/generic/vclist.c... Generating docs for file src/generic/vclist.h... Generating docs for file src/generic/vgreen.c... Generating docs for file src/generic/vgreen.h... Generating docs for file src/generic/vhal.h... Generating docs for file src/generic/vmatrix.h... Generating docs for file src/generic/vparam.c... Generating docs for file src/generic/vparam.h... Generating docs for file src/generic/vpbe.c... Generating docs for file src/generic/vpbe.h... Generating docs for file src/generic/vstring.c... Generating docs for file src/generic/vstring.h... Generating docs for file src/generic/vunit.h... Generating docs for file src/main.c... Generating docs for file src/mg/vgrid.c... Generating docs for file src/mg/vgrid.h... Generating docs for file src/mg/vmgrid.c... Generating docs for file src/mg/vmgrid.h... Generating docs for file src/mg/vopot.c... Generating docs for file src/mg/vopot.h... Generating docs for file src/mg/vpmg.c... Generating docs for file src/mg/vpmg.h... Generating docs for file src/mg/vpmgp.c... Generating docs for file src/mg/vpmgp.h... Generating docs for file src/routines.c... Generating docs for file src/routines.h... Generating page docum/builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.h:17: warning: end of comment block while expecting command /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:247: warning: argument 'parm' of command @param is not found in the argument list of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock) /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:247: warning: The following parameter of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock) is not documented: parameter 'sock' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:513: warning: The following parameter of energyAPOL(APOLparm *apolparm, double sasa, double sav, double atomsasa[], double atomwcaEnergy[], int numatoms) is not documented: parameter 'apolparm' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:610: warning: The following parameter of killFE(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vfetk *fetk[NOSH_MAXCALC], Gem *gem[NOSH_MAXMOL]) is not documented: parameter 'nosh' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:262: warning: The following parameter of killMG(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vpmgp *pmgp[NOSH_MAXCALC], Vpmg *pmg[NOSH_MAXCALC]) is not documented: parameter 'nosh' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:882: warning: argument 'charge' of command @param is not found in the argument list of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) /builddir/build/BUILD/apbs-3.0.0/src/routines.c:882: warning: The following parameter of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented: parameter 'map' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:662: warning: argument 'kappa' of command @param is not found in the argument list of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) /builddir/build/BUILD/apbs-3.0.0/src/routines.c:662: warning: The following parameter of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented: parameter 'map' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:791: warning: argument 'pot' of command @param is not found in the argument list of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) /builddir/build/BUILD/apbs-3.0.0/src/routines.c:791: warning: The following parameter of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented: parameter 'map' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:622: warning: argument 'nosh' of command @param is not found in the argument list of preRefineFE(int i, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC]) /builddir/build/BUILD/apbs-3.0.0/src/routines.h:494: warning: The following parameter of printApolForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:445: warning: The following parameter of printElecEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:481: warning: The following parameter of printElecForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:432: warning: The following parameter of printEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:468: warning: The following parameter of printForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4125: warning: argument 'i' of command @param is not found in the argument list of solveFE(int icalc, PBEparm *pbeparm, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC]) /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:104: warning: Member vdw (variable) of struct sGEOFLOWparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:105: warning: Member setvdw (variable) of struct sGEOFLOWparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:111: warning: Member salt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:112: warning: Member setsalt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:115: warning: Member runtype[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:116: warning: Member setruntype (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:119: warning: Member runname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:120: warning: Member setrunname (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:123: warning: Member setrandorient (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:126: warning: Member pbcboxlen (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:127: warning: Member setpbcs (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:130: warning: Member units[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:131: warning: Member setunits (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:137: warning: Member gridpt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:138: warning: Member setgridpt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:141: warning: Member map3dname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:142: warning: Member set3dmap (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:145: warning: Member grid2Dname[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:146: warning: Member grid2Dax[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:147: warning: Member grid2Dloc[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:148: warning: Member grid2Dct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:149: warning: Member setgrid2Dname (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:152: warning: Member dxname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:153: warning: Member setdxname (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:158: warning: Member ntraj (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:159: warning: Member setntraj (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:161: warning: Member termcombine[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:162: warning: Member settermcombine (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:164: warning: Member diffct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:165: warning: Member moveType[PBAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:166: warning: Member transDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:167: warning: Member rotDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:169: warning: Member termct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:170: warning: Member setterm (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:172: warning: Member termnam[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:173: warning: Member termnu[PBAMPARM_MAXWRITE][1] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:174: warning: Member termVal[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:175: warning: Member confil[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:176: warning: Member conpad[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:177: warning: Member confilct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:179: warning: Member setxyz (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:180: warning: Member xyzct[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:181: warning: Member xyzfil[PBAMPARM_MAXMOL][PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:202: warning: Member pbam_3dmapstem[VMAX_ARGLEN] (variable) of struct sPBEparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:203: warning: Member pbam_3dmapflag (variable) of struct sPBEparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:112: warning: Member settolsp (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:113: warning: Member tolsp (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:115: warning: Member setmsms (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:116: warning: Member probe_radius (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:117: warning: Member density (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:119: warning: Member setsurf (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:120: warning: Member surfct (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:121: warning: Member surffil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:123: warning: Member setimat (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:124: warning: Member imatct (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:125: warning: Member imatfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:127: warning: Member setexp (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:128: warning: Member expct (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:129: warning: Member expfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented. entation... Generating docs for page bug... Generating docs for page deprecated... Generating group documentation... Generating class documentation... Generating docs for compound AtomForce... Generating docs for compound sAPOLparm... Generating docs for compound sBEMparm... Generating docs for compound sFEMparm... Generating docs for compound sGEOFLOWparm... Generating docs for compound sMGparm... Generating docs for compound sNOsh... Generating docs for compound sNOsh_calc... Generating docs for compound sPBAMparm... Generating docs for compound sPBEparm... Generating docs for compound sPBSAMparm... Generating docs for compound sVacc... Generating docs for compound sVaccSurf... Generating docs for compound sValist... Generating docs for compound sVatom... Generating docs for compound sVclist... Generating docs for compound sVclistCell... Generating docs for compound sVcsm... Generating docs for compound sVfetk... Generating docs for compound sVfetk_LocalVar... Generating docs for compound sVgreen... Generating docs for compound sVgrid... Generating docs for compound sVmgrid... Generating docs for compound sVopot... Generating docs for compound sVparam_AtomData... Generating docs for compound sVpbe... Generating docs for compound sVpee... Generating docs for compound sVpmg... Generating docs for compound sVpmgp... Generating docs for compound Vparam... Generating docs for compound Vparam_ResData... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating graph info page... Generating directory documentation... Generating dependency graph for directory src/fem Generating dependency graph for directory src/generic Generating dependency graph for directory src/mg Generating dependency graph for directory src/pmgc Generating dependency graph for directory doc/programmer Generating dependency graph for directory src Generating index page... Generating main page... 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LaTeX Warning: Reference `newtond_8c_source' on page 18 undefined on input line 93. LaTeX Warning: Reference `newtond_8h_source' on page 18 undefined on input line 94. LaTeX Warning: Reference `powerd_8c_source' on page 18 undefined on input line 95. LaTeX Warning: Reference `powerd_8h_source' on page 18 undefined on input line 96. LaTeX Warning: Reference `smoothd_8c_source' on page 18 undefined on input line 97. LaTeX Warning: Reference `smoothd_8h_source' on page 18 undefined on input line 98. ) [18] Chapter 7. (./group___header.tex) (./group___vcsm.tex [19] Underfull \hbox (badness 10000) detected at line 93 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.1 on input line 102. [20] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 121 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.2 on input line 130. Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.3 on input line 164. [21] Underfull \hbox (badness 10000) detected at line 179 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.4 on input line 186. Underfull \hbox (badness 10000) detected at line 201 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.5 on input line 208. 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[25] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.14 on input line 453. Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.15 on input line 482. ) (./group___vfetk.tex [26] [27] [28] [29] [30] Underfull \hbox (badness 10000) detected at line 304 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.16 on input line 320. Underfull \hbox (badness 10000) detected at line 335 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.17 on input line 355. Package longtable Warning: Column widths have changed (longtable) in table 7.18 on input line 383. 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[38] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 862 [][][] Underfull \hbox (badness 10000) detected at line 865 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.35 on input line 874. Underfull \hbox (badness 10000) detected at line 889 [][][] Underfull \hbox (badness 10000) detected at line 892 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.36 on input line 899. [39] Underfull \hbox (badness 10000) detected at line 914 [][][] Underfull \hbox (badness 10000) detected at line 917 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.37 on input line 924. Underfull \hbox (badness 10000) detected at line 939 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.38 on input line 948. 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[49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.56 on input line 1493. Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.57 on input line 1524. [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.58 on input line 1554. [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.59 on input line 1640. [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.60 on input line 1674. Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Package longtable Warning: Column widths have changed (longtable) in table 7.61 on input line 1711. Underfull \hbox (badness 10000) detected at line 1735 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.62 on input line 1744. Underfull \hbox (badness 10000) detected at line 1745 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.63 on input line 1754. [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.64 on input line 1786. Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.65 on input line 1810. [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.66 on input line 1836. Underfull \hbox (badness 10000) detected at line 1851 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.67 on input line 1870. Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56] Package longtable Warning: Column widths have changed (longtable) in table 7.68 on input line 1895. ) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.69 on input line 93. [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.70 on input line 131. Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Package longtable Warning: Column widths have changed (longtable) in table 7.71 on input line 156. Underfull \hbox (badness 10000) detected at line 171 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.72 on input line 178. Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.73 on input line 226. 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Underfull \hbox (badness 10000) detected at line 354 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.98 on input line 361. ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.99 on input line 106. Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.100 on input line 131. Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.101 on input line 158. Underfull \hbox (badness 10000) detected at line 173 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.102 on input line 180. Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.103 on input line 207. Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.104 on input line 232. Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Package longtable Warning: Column widths have changed (longtable) in table 7.105 on input line 254. Underfull \hbox (badness 10000) detected at line 269 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.106 on input line 280. Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] Package longtable Warning: Column widths have changed (longtable) in table 7.107 on input line 159. Package longtable Warning: Column widths have changed (longtable) in table 7.108 on input line 187. [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.109 on input line 216. Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.110 on input line 245. Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.111 on input line 270. Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.112 on input line 297. Underfull \hbox (badness 10000) detected at line 312 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.113 on input line 319. Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.114 on input line 346. Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.115 on input line 371. Underfull \hbox (badness 10000) detected at line 386 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.116 on input line 393. [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.117 on input line 415. Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.118 on input line 440. Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.119 on input line 465. [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.120 on input line 490. Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.121 on input line 515. Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Package longtable Warning: Column widths have changed (longtable) in table 7.122 on input line 540. Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.123 on input line 565. Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.124 on input line 590. Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.125 on input line 615. Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.126 on input line 644. Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.127 on input line 671. [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.128 on input line 695. Underfull \hbox (badness 10000) detected at line 710 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.129 on input line 719. ) (./group___n_osh.tex [88] [89] [90] [91] Package longtable Warning: Column widths have changed (longtable) in table 7.130 on input line 321. Package longtable Warning: Column widths have changed (longtable) in table 7.131 on input line 349. [92] Package longtable Warning: Column widths have changed (longtable) in table 7.132 on input line 373. Package longtable Warning: Column widths have changed (longtable) in table 7.133 on input line 413. Underfull \hbox (badness 10000) detected at line 431 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.134 on input line 440. Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.135 on input line 467. Underfull \hbox (badness 10000) detected at line 482 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.136 on input line 489. Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.137 on input line 514. [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.138 on input line 538. Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.139 on input line 567. Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.140 on input line 592. [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.141 on input line 614. Underfull \hbox (badness 10000) detected at line 629 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.142 on input line 638. Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.143 on input line 668. Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.144 on input line 698. Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.145 on input line 725. Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.146 on input line 752. Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.147 on input line 779. Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.148 on input line 806. Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.149 on input line 833. Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.150 on input line 860. [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.151 on input line 887. Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.152 on input line 914. Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.153 on input line 941. Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.154 on input line 968. Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.155 on input line 995. [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.156 on input line 1025. Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.157 on input line 1057. [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.158 on input line 1089. Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.159 on input line 1122. Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.160 on input line 1157. Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Package longtable Warning: Column widths have changed (longtable) in table 7.161 on input line 1190. Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.162 on input line 1223. Underfull \hbox (badness 10000) detected at line 1224 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.163 on input line 1233. [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.164 on input line 1260. Underfull \hbox (badness 10000) detected at line 1261 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.165 on input line 1270. ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.166 on input line 154. [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.167 on input line 179. Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.168 on input line 206. Underfull \hbox (badness 10000) detected at line 221 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.169 on input line 228. Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.170 on input line 255. Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.171 on input line 280. Underfull \hbox (badness 10000) detected at line 295 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.172 on input line 302. [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.173 on input line 326. Underfull \hbox (badness 10000) detected at line 341 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.174 on input line 350. Underfull \hbox (badness 10000) detected at line 365 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.175 on input line 374. [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.176 on input line 398. Underfull \hbox (badness 10000) detected at line 413 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.177 on input line 422. Underfull \hbox (badness 10000) detected at line 437 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.178 on input line 446. [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.179 on input line 470. Underfull \hbox (badness 10000) detected at line 485 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.180 on input line 494. Underfull \hbox (badness 10000) detected at line 509 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.181 on input line 518. [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.182 on input line 542. Underfull \hbox (badness 10000) detected at line 557 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.183 on input line 566. Underfull \hbox (badness 10000) detected at line 581 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.184 on input line 592. [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.185 on input line 619. Underfull \hbox (badness 10000) detected at line 634 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.186 on input line 643. ) (./group___p_b_eparm.tex [115] [116] Package longtable Warning: Column widths have changed (longtable) in table 7.187 on input line 163. Package longtable Warning: Column widths have changed (longtable) in table 7.188 on input line 191. [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.189 on input line 219. Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.190 on input line 243. Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.191 on input line 288. Underfull \hbox (badness 10000) detected at line 303 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.192 on input line 310. Underfull \hbox (badness 10000) detected at line 325 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.193 on input line 332. [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.194 on input line 359. Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.195 on input line 386. [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.196 on input line 413. Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.197 on input line 442. ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.198 on input line 138. Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Package longtable Warning: Column widths have changed (longtable) in table 7.199 on input line 163. Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.200 on input line 190. Underfull \hbox (badness 10000) detected at line 205 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.201 on input line 212. Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.202 on input line 239. Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.203 on input line 264. Underfull \hbox (badness 10000) detected at line 279 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.204 on input line 286. [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.205 on input line 310. Underfull \hbox (badness 10000) detected at line 325 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.206 on input line 334. Underfull \hbox (badness 10000) detected at line 349 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.207 on input line 358. [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.208 on input line 382. Underfull \hbox (badness 10000) detected at line 397 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.209 on input line 408. Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.210 on input line 435. ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.211 on input line 164. [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.212 on input line 192. Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.213 on input line 224. [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.214 on input line 253. Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.215 on input line 282. Underfull \hbox (badness 10000) detected at line 283 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.216 on input line 290. [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.217 on input line 319. Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.218 on input line 350. [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.219 on input line 372. Underfull \hbox (badness 10000) detected at line 387 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.220 on input line 394. Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Package longtable Warning: Column widths have changed (longtable) in table 7.221 on input line 430. Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.222 on input line 461. Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.223 on input line 482. [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.224 on input line 515. Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.225 on input line 545. [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.226 on input line 578. Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.227 on input line 613. Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.228 on input line 643. Underfull \hbox (badness 10000) detected at line 660 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.229 on input line 677. [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.230 on input line 709. Underfull \hbox (badness 10000) detected at line 724 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.231 on input line 741. Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.232 on input line 775. Underfull \hbox (badness 10000) detected at line 790 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.233 on input line 805. [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.234 on input line 837. Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.235 on input line 867. [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.236 on input line 901. Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.237 on input line 930. [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.238 on input line 957. Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.239 on input line 992. [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.240 on input line 1025. Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.241 on input line 1054. [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.242 on input line 1085. Underfull \hbox (badness 10000) detected at line 1100 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.243 on input line 1107. Underfull \hbox (badness 10000) detected at line 1122 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.244 on input line 1129. Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.245 on input line 1161. ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.246 on input line 121. Underfull \hbox (badness 10000) detected at line 136 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.247 on input line 143. Underfull \hbox (badness 10000) detected at line 158 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.248 on input line 165. [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.249 on input line 192. Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.250 on input line 217. Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.251 on input line 242. Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.252 on input line 267. Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.253 on input line 292. [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.254 on input line 317. Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.255 on input line 362. [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.256 on input line 394. Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.257 on input line 428. [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.258 on input line 462. ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.259 on input line 143. Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Package longtable Warning: Column widths have changed (longtable) in table 7.260 on input line 167. Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.261 on input line 209. Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.262 on input line 234. [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.263 on input line 256. Underfull \hbox (badness 10000) detected at line 271 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.264 on input line 278. Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.265 on input line 305. [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.266 on input line 327. Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.267 on input line 352. Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.268 on input line 377. [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.269 on input line 402. Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.270 on input line 427. Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Package longtable Warning: Column widths have changed (longtable) in table 7.271 on input line 454. Underfull \hbox (badness 10000) detected at line 469 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.272 on input line 476. Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.273 on input line 503. [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.274 on input line 527. Underfull \hbox (badness 10000) detected at line 542 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.275 on input line 551. Underfull \hbox (badness 10000) detected at line 566 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.276 on input line 575. [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.277 on input line 599. Underfull \hbox (badness 10000) detected at line 614 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.278 on input line 623. Underfull \hbox (badness 10000) detected at line 638 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.279 on input line 647. [162] Underfull \hbox (badness 10000) detected at line 662 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.280 on input line 671. ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.281 on input line 101. Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.282 on input line 134. Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.283 on input line 167. ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.284 on input line 122. Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Package longtable Warning: Column widths have changed (longtable) in table 7.285 on input line 160. Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.286 on input line 197. Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Package longtable Warning: Column widths have changed (longtable) in table 7.287 on input line 219. Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.288 on input line 241. Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.289 on input line 268. Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.290 on input line 293. Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.291 on input line 318. Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.292 on input line 343. [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.293 on input line 370. Underfull \hbox (badness 10000) detected at line 385 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.294 on input line 392. Underfull \hbox (badness 10000) detected at line 407 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.295 on input line 414. ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.296 on input line 158. Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.297 on input line 195. Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.298 on input line 238. Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.299 on input line 281. Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.300 on input line 306. Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.301 on input line 333. Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.302 on input line 358. [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.303 on input line 380. Underfull \hbox (badness 10000) detected at line 395 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.304 on input line 402. Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.305 on input line 448. Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.306 on input line 499. [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.307 on input line 524. Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.308 on input line 714. Underfull \hbox (badness 10000) detected at line 729 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.309 on input line 745. [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.310 on input line 780. Underfull \hbox (badness 10000) detected at line 795 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.311 on input line 827. Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! Package longtable Warning: Column widths have changed (longtable) in table 7.312 on input line 906. [188] Package longtable Warning: Column widths have changed (longtable) in table 7.313 on input line 934. Package longtable Warning: Column widths have changed (longtable) in table 7.314 on input line 980. [189] Package longtable Warning: Column widths have changed (longtable) in table 7.315 on input line 1004. Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.316 on input line 1035. Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190] Package longtable Warning: Column widths have changed (longtable) in table 7.317 on input line 1095. ) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.318 on input line 129. Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.319 on input line 156. Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.320 on input line 183. Underfull \hbox (badness 10000) detected at line 198 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.321 on input line 207. [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.322 on input line 249. Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.323 on input line 274. [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.324 on input line 296. Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.325 on input line 338. Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Package longtable Warning: Column widths have changed (longtable) in table 7.326 on input line 363. Underfull \hbox (badness 10000) detected at line 378 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.327 on input line 385. Underfull \hbox (badness 10000) detected at line 400 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.328 on input line 411. Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.329 on input line 444. Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.330 on input line 475. Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.331 on input line 508. Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.332 on input line 552. [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.333 on input line 579. Underfull \hbox (badness 10000) detected at line 594 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.334 on input line 601. Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.335 on input line 628. Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.336 on input line 653. Underfull \hbox (badness 10000) detected at line 668 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.337 on input line 675. [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.338 on input line 171. [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.339 on input line 232. Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.340 on input line 254. Underfull \hbox (badness 10000) detected at line 269 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.341 on input line 276. Underfull \hbox (badness 10000) detected at line 291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.342 on input line 298. Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.343 on input line 332. Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.344 on input line 357. Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.345 on input line 382. Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.346 on input line 411. Underfull \hbox (badness 10000) detected at line 412 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.347 on input line 435. [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.348 on input line 460. Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.349 on input line 485. Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Package longtable Warning: Column widths have changed (longtable) in table 7.350 on input line 510. Underfull \hbox (badness 10000) detected at line 525 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.351 on input line 532. Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.352 on input line 557. Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Package longtable Warning: Column widths have changed (longtable) in table 7.353 on input line 582. Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.354 on input line 607. Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.355 on input line 632. Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.356 on input line 657. Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.357 on input line 682. Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.358 on input line 707. Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.359 on input line 732. Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.360 on input line 757. Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Package longtable Warning: Column widths have changed (longtable) in table 7.361 on input line 782. Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.362 on input line 807. Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.363 on input line 832. Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.364 on input line 857. Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.365 on input line 882. Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.366 on input line 907. Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.367 on input line 932. Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.368 on input line 49. Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.369 on input line 79. Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.370 on input line 116. ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.371 on input line 150. Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.372 on input line 195. [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.373 on input line 228. Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.374 on input line 253. Underfull \hbox (badness 10000) detected at line 268 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.375 on input line 275. Underfull \hbox (badness 10000) detected at line 290 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.376 on input line 301. Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.377 on input line 326. Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.378 on input line 351. Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.379 on input line 376. Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.380 on input line 402. Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.381 on input line 427. Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Package longtable Warning: Column widths have changed (longtable) in table 7.382 on input line 452. Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.383 on input line 488. Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.384 on input line 527. Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.385 on input line 560. [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.386 on input line 582. Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.387 on input line 611. Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.388 on input line 648. Underfull \hbox (badness 10000) detected at line 663 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.389 on input line 682. [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.390 on input line 721. ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.391 on input line 114. Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.392 on input line 159. [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.393 on input line 192. Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.394 on input line 217. [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.395 on input line 239. Underfull \hbox (badness 10000) detected at line 254 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.396 on input line 263. Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.397 on input line 286. [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.398 on input line 311. Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.399 on input line 340. Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.400 on input line 88. Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.401 on input line 119. [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.402 on input line 152. Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.403 on input line 177. [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.404 on input line 199. Underfull \hbox (badness 10000) detected at line 214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.405 on input line 225. Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.406 on input line 254. Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.407 on input line 171. [246] Underfull \hbox (badness 10000) detected at line 186 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.408 on input line 219. [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.409 on input line 261. Underfull \hbox (badness 10000) detected at line 276 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.410 on input line 309. [248] Underfull \hbox (badness 10000) detected at line 324 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.411 on input line 347. [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Package longtable Warning: Column widths have changed (longtable) in table 7.412 on input line 401. Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.413 on input line 443. [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.414 on input line 473. Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.415 on input line 505. Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.416 on input line 535. Underfull \hbox (badness 10000) detected at line 546 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.417 on input line 561. [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.418 on input line 583. Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.419 on input line 619. [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.420 on input line 653. Underfull \hbox (badness 10000) detected at line 668 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.421 on input line 675. Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Package longtable Warning: Column widths have changed (longtable) in table 7.422 on input line 697. Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.423 on input line 727. Underfull \hbox (badness 10000) detected at line 742 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.424 on input line 753. [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.425 on input line 784. Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.426 on input line 841. Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Package longtable Warning: Column widths have changed (longtable) in table 7.427 on input line 879. Underfull \hbox (badness 10000) detected at line 894 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.428 on input line 909. Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.429 on input line 941. Underfull \hbox (badness 10000) detected at line 956 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.430 on input line 971. Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Package longtable Warning: Column widths have changed (longtable) in table 7.431 on input line 997. Underfull \hbox (badness 10000) detected at line 1008 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.432 on input line 1019. Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.433 on input line 1040. [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.434 on input line 1076. Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.435 on input line 1108. Underfull \hbox (badness 10000) detected at line 1123 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.436 on input line 1140. Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.437 on input line 1175. Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.438 on input line 1211. [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.439 on input line 1241. Underfull \hbox (badness 10000) detected at line 1252 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.440 on input line 1269. [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.441 on input line 1292. Underfull \hbox (badness 10000) detected at line 1303 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.442 on input line 1316. [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.443 on input line 1358. Underfull \hbox (badness 10000) detected at line 1373 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.444 on input line 1386. [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.445 on input line 1411. Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.446 on input line 1439. Underfull \hbox (badness 10000) detected at line 1454 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.447 on input line 1461. ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.448 on input line 85. Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.449 on input line 112. Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Package longtable Warning: Column widths have changed (longtable) in table 7.450 on input line 137. Underfull \hbox (badness 10000) detected at line 152 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.451 on input line 159. Underfull \hbox (badness 10000) detected at line 174 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.452 on input line 193. [271] Underfull \hbox (badness 10000) detected at line 208 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.453 on input line 215. ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.454 on input line 293. [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.455 on input line 324. Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.456 on input line 488. [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Package longtable Warning: Column widths have changed (longtable) in table 7.457 on input line 631. Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] Package longtable Warning: Column widths have changed (longtable) in table 7.458 on input line 704. [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.459 on input line 757. Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] Package longtable Warning: Column widths have changed (longtable) in table 7.460 on input line 892. [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] Package longtable Warning: Column widths have changed (longtable) in table 7.461 on input line 1035. [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] Package longtable Warning: Column widths have changed (longtable) in table 7.462 on input line 1214. [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] Package longtable Warning: Column widths have changed (longtable) in table 7.463 on input line 1367. [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.464 on input line 1431. [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] Package longtable Warning: Column widths have changed (longtable) in table 7.465 on input line 1567. [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Package longtable Warning: Column widths have changed (longtable) in table 7.466 on input line 1713. Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.467 on input line 1751. Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Package longtable Warning: Column widths have changed (longtable) in table 7.468 on input line 1788. Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.469 on input line 1825. [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.470 on input line 1862. Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] Package longtable Warning: Column widths have changed (longtable) in table 7.471 on input line 2016. [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.472 on input line 2053. Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.473 on input line 2188. Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.474 on input line 2227. Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.475 on input line 2266. [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.476 on input line 2297. [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.477 on input line 2486. [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.478 on input line 2680. [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.479 on input line 2729. [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.480 on input line 2888. [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.481 on input line 2929. Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.482 on input line 3029. [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.483 on input line 3170. [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.484 on input line 3325. [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.485 on input line 3416. [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.486 on input line 3525. [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.487 on input line 3568. [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.488 on input line 3772. [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.489 on input line 3873. [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.490 on input line 3955. Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.491 on input line 3984. [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.492 on input line 4017. [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.493 on input line 4177. [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.494 on input line 4273. Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.495 on input line 4366. [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.496 on input line 4409. Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.497 on input line 4454. [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.498 on input line 4515. [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.499 on input line 4679. [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.500 on input line 4710. Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Package longtable Warning: Column widths have changed (longtable) in table 7.501 on input line 4751. Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.502 on input line 4913. [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.503 on input line 4948. Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.504 on input line 5084. Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Package longtable Warning: Column widths have changed (longtable) in table 7.505 on input line 5120. Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.506 on input line 5153. Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.507 on input line 5186. Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.508 on input line 5217. Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.509 on input line 5248. Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.510 on input line 5281. ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.511 on input line 196. Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Package longtable Warning: Column widths have changed (longtable) in table 7.512 on input line 232. Underfull \hbox (badness 10000) detected at line 235 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.513 on input line 260. [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.514 on input line 296. Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.515 on input line 336. [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.516 on input line 372. Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] Package longtable Warning: Column widths have changed (longtable) in table 7.517 on input line 480. [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.518 on input line 557. [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.519 on input line 610. [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.520 on input line 634. Underfull \hbox (badness 10000) detected at line 649 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.521 on input line 662. Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.522 on input line 705. Underfull \hbox (badness 10000) detected at line 720 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.523 on input line 733. Underfull \hbox (badness 10000) detected at line 748 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.524 on input line 757. [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.525 on input line 781. Underfull \hbox (badness 10000) detected at line 792 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.526 on input line 803. Underfull \hbox (badness 10000) detected at line 818 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.527 on input line 827. [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.528 on input line 851. Underfull \hbox (badness 10000) detected at line 866 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.529 on input line 875. Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Package longtable Warning: Column widths have changed (longtable) in table 7.530 on input line 908. Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.531 on input line 938. Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Package longtable Warning: Column widths have changed (longtable) in table 7.532 on input line 970. Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.533 on input line 995. Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.534 on input line 1020. [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.535 on input line 1044. Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.536 on input line 1076. Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Package longtable Warning: Column widths have changed (longtable) in table 7.537 on input line 1104. Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.538 on input line 1133. Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.539 on input line 1151. [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.540 on input line 1179. Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.541 on input line 1213. [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.542 on input line 1244. Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.543 on input line 1273. [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.544 on input line 1304. Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.545 on input line 1333. [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.546 on input line 1362. Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.547 on input line 1393. Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Package longtable Warning: Column widths have changed (longtable) in table 7.548 on input line 1417. Underfull \hbox (badness 10000) detected at line 1432 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.549 on input line 1439. Underfull \hbox (badness 10000) detected at line 1454 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.550 on input line 1467. Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.551 on input line 1496. Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.552 on input line 1527. Underfull \hbox (badness 10000) detected at line 1528 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.553 on input line 1547. [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.554 on input line 1573. Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Package longtable Warning: Column widths have changed (longtable) in table 7.555 on input line 1621. Underfull \hbox (badness 10000) detected at line 1636 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.556 on input line 1649. Underfull \hbox (badness 10000) detected at line 1650 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.557 on input line 1673. [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.558 on input line 1715. Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.559 on input line 1746. [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.560 on input line 1791. Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.561 on input line 1822. Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 163 [][][] Underfull \hbox (badness 10000) detected at line 166 [][][] [507] Underfull \hbox (badness 10000) detected at line 169 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 189 [][][] [546] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] Underfull \hbox (badness 10000) detected at line 63 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [579] Underfull \hbox (badness 10000) detected at line 121 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.1 on input line 130. ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 95 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 95 [][][] Underfull \hbox (badness 10000) detected at line 98 [][][] Underfull \hbox (badness 10000) detected at line 101 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 154 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 102 [][][] [698] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 101 [][][] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 88 [][][] Underfull \hbox (badness 10000) detected at line 91 [][][] Underfull \hbox (badness 10000) detected at line 94 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] [741] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 182 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.2 on input line 193. Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [742] Package longtable Warning: Column widths have changed (longtable) in table 9.3 on input line 224. [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__incl.p df> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 123 [][][] Underfull \hbox (badness 10000) detected at line 126 [][][] Underfull \hbox (badness 10000) detected at line 129 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 54--56 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [808] Underfull \hbox (badness 10000) detected at line 53 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 32--34 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 309 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 318--318 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [860] Underfull \hbox (badness 10000) detected at line 84 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [876] Underfull \hbox (badness 10000) detected at line 96 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 117 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 42. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 28 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [913] Underfull \hbox (badness 10000) detected at line 169 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.4 on input line 188. [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 93 [][][] [941] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] [942] Underfull \hbox (badness 10000) detected at line 165 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.5 on input line 184. ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 59--59 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 173 [][][] Underfull \hbox (badness 10000) detected at line 176 [][][] Underfull \hbox (badness 10000) detected at line 179 [][][] [966] Underfull \hbox (badness 10000) detected at line 261 [][][] [967] Underfull \hbox (badness 10000) detected at line 288 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.6 on input line 319. [968] Underfull \hbox (badness 10000) detected at line 384 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.7 on input line 394. Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.8 on input line 419. [969] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.9 on input line 444. Underfull \hbox (badness 10000) detected at line 459 [][][] Underfull \hbox (badness 10000) detected at line 462 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.10 on input line 469. Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] [970] Package longtable Warning: Column widths have changed (longtable) in table 9.11 on input line 494. Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.12 on input line 519. Underfull \hbox (badness 10000) detected at line 534 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] Underfull \hbox (badness 10000) detected at line 554 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] [971] Underfull \hbox (badness 10000) detected at line 574 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [972] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [973] Underfull \hbox (badness 10000) detected at line 734 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 768 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] [974] Underfull \hbox (badness 10000) detected at line 832 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.13 on input line 861. [975] Underfull \hbox (badness 10000) detected at line 876 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.14 on input line 891. [976] Underfull \hbox (badness 10000) detected at line 926 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.15 on input line 933. Underfull \hbox (badness 10000) detected at line 948 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.16 on input line 955. [977] Underfull \hbox (badness 10000) detected at line 970 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.17 on input line 977. Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 995 [][][] Underfull \hbox (badness 10000) detected at line 1012 [][][] Underfull \hbox (badness 10000) detected at line 1015 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.18 on input line 1022. [978] Underfull \hbox (badness 10000) detected at line 1037 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.19 on input line 1047. Underfull \hbox (badness 10000) detected at line 1062 [][][] Underfull \hbox (badness 10000) detected at line 1065 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.20 on input line 1072. Underfull \hbox (badness 10000) detected at line 1097 [][][] [979] Underfull \hbox (badness 10000) detected at line 1114 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.21 on input line 1131. Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.22 on input line 1158. ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 238 [][][] Underfull \hbox (badness 10000) detected at line 241 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 406 [][][] Underfull \hbox (badness 10000) detected at line 423 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.23 on input line 454. [1125] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.24 on input line 479. Underfull \hbox (badness 10000) detected at line 494 [][][] Underfull \hbox (badness 10000) detected at line 497 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.25 on input line 504. [1126] Underfull \hbox (badness 10000) detected at line 519 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.26 on input line 529. Underfull \hbox (badness 10000) detected at line 544 [][][] Underfull \hbox (badness 10000) detected at line 547 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.27 on input line 554. Underfull \hbox (badness 10000) detected at line 569 [][][] Underfull \hbox (badness 10000) detected at line 572 [][][] [1127] Package longtable Warning: Column widths have changed (longtable) in table 9.28 on input line 579. Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 597 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.29 on input line 604. Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 622 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [1128] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 693 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] Underfull \hbox (badness 10000) detected at line 727 [][][] [1129] Underfull \hbox (badness 10000) detected at line 744 [][][] Underfull \hbox (badness 10000) detected at line 761 [][][] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 785 [][][] Underfull \hbox (badness 10000) detected at line 802 [][][] [1130] Underfull \hbox (badness 10000) detected at line 819 [][][] Underfull \hbox (badness 10000) detected at line 836 [][][] Underfull \hbox (badness 10000) detected at line 853 [][][] Underfull \hbox (badness 10000) detected at line 870 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] [1131] Underfull \hbox (badness 10000) detected at line 896 [][][] Underfull \hbox (badness 10000) detected at line 913 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.30 on input line 942. [1132] Underfull \hbox (badness 10000) detected at line 957 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.31 on input line 972. Underfull \hbox (badness 10000) detected at line 987 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.32 on input line 994. [1133] Underfull \hbox (badness 10000) detected at line 1009 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.33 on input line 1016. Underfull \hbox (badness 10000) detected at line 1031 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.34 on input line 1038. Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1056 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1076 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.35 on input line 1083. Underfull \hbox (badness 10000) detected at line 1098 [][][] Underfull \hbox (badness 10000) detected at line 1101 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.36 on input line 1108. Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.37 on input line 1133. [1135] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1175 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.38 on input line 1192. [1136] Underfull \hbox (badness 10000) detected at line 1207 [][][] Underfull \hbox (badness 10000) detected at line 1210 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.39 on input line 1219. ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217] [1218] [1219] [1220] [1221] [1222] [1223]) (./build_pd_8h_source.tex [1224] [1225] [1226]) (./cgd_8c_source.tex) (./cgd_8h_source.tex [1227]) (./gsd_8c_source.tex [1228] [1229] [1230] [1231]) (./gsd_8h_source.tex [1232]) (./matvecd_8c_source.tex [1233] [1234] [1235] [1236] [1237] [1238] [1239] [1240] [1241] [1242] [1243] [1244] [1245]) (./matvecd_8h_source.tex [1246] [1247] [1248] [1249] [1250] [1251]) 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(./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 48--49 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 62--63 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] 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<./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 54--55 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 72--73 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 72--73 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 92--93 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 124--125 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] No file refman.ind. 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(./group___header.tex) (./group___vcsm.tex [19] Underfull \hbox (badness 10000) detected at line 93 [][][] [20] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [21] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] Underfull \hbox (badness 10000) detected at line 223 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Overfull \vbox (4.57304pt too high) has occurred while \output is active [22] Underfull \hbox (badness 10000) detected at line 252 [][][] Underfull \hbox (badness 10000) detected at line 255 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 284 [][][] [23] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 338 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] [24] Underfull \hbox (badness 10000) detected at line 393 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [25] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] ) (./group___vfetk.tex [26] [27] [28] [29] [30] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] [31] Underfull \hbox (badness 10000) detected at line 398 [][][] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 463 [][][] Underfull \hbox (badness 10000) detected at line 466 [][][] [32] Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 498 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] [33] Underfull \hbox (badness 10000) detected at line 559 [][][] Underfull \hbox (badness 10000) detected at line 569 [][][] [34] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 615 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] [35] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 661 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [36] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 779 [][][] [37] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 804 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 810 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 837 [][][] [38] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 862 [][][] Underfull \hbox (badness 10000) detected at line 865 [][][] Underfull \hbox (badness 10000) detected at line 889 [][][] Underfull \hbox (badness 10000) detected at line 892 [][][] [39] Underfull \hbox (badness 10000) detected at line 914 [][][] Underfull \hbox (badness 10000) detected at line 917 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Overfull \vbox (16.42432pt too high) has occurred while \output is active [40] Underfull \hbox (badness 10000) detected at line 989 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] Underfull \hbox (badness 10000) detected at line 1017 [][][] [41] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1046 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] [42] Underfull \hbox (badness 10000) detected at line 1136 [][][] Underfull \hbox (badness 10000) detected at line 1139 [][][] [43] Underfull \hbox (badness 10000) detected at line 1169 [][][] Underfull \hbox (badness 10000) detected at line 1172 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1197 [][][] Underfull \hbox (badness 10000) detected at line 1222 [][][] [44] [45] Underfull \hbox (badness 10000) detected at line 1255 [][][] Underfull \hbox (badness 10000) detected at line 1258 [][][] Underfull \hbox (badness 10000) detected at line 1288 [][][] [46] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1317 [][][] Underfull \hbox (badness 10000) detected at line 1345 [][][] [47] Underfull \hbox (badness 10000) detected at line 1375 [][][] Underfull \hbox (badness 10000) detected at line 1409 [][][] [48] Underfull \hbox (badness 10000) detected at line 1412 [][][] Underfull \hbox (badness 10000) detected at line 1438 [][][] Underfull \hbox (badness 10000) detected at line 1441 [][][] [49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Underfull \hbox (badness 10000) detected at line 1735 [][][] Underfull \hbox (badness 10000) detected at line 1745 [][][] [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Underfull \hbox (badness 10000) detected at line 1851 [][][] Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56]) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] [60] Underfull \hbox (badness 10000) detected at line 241 [][][] Underfull \hbox (badness 10000) detected at line 244 [][][] ) (./group___a_p_o_lparm.tex [61] [62] [63] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 220 [][][] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] [64] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] ) (./group___b_e_mparm.tex [65] [66] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 133 [][][] [67] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] [68] Underfull \hbox (badness 10000) detected at line 224 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] ) (./group___f_e_mparm.tex [69] [70] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [71] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 231 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] [72] Underfull \hbox (badness 10000) detected at line 280 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] [73] Underfull \hbox (badness 10000) detected at line 354 [][][] ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Underfull \hbox (badness 10000) detected at line 173 [][][] Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] ) (./group___n_osh.tex [88] [89] [90] [91] [92] Underfull \hbox (badness 10000) detected at line 431 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 482 [][][] Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Underfull \hbox (badness 10000) detected at line 1224 [][][] [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Underfull \hbox (badness 10000) detected at line 1261 [][][] ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 221 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Underfull \hbox (badness 10000) detected at line 295 [][][] [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 365 [][][] [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Underfull \hbox (badness 10000) detected at line 413 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 485 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] Underfull \hbox (badness 10000) detected at line 581 [][][] [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Underfull \hbox (badness 10000) detected at line 634 [][][] ) (./group___p_b_eparm.tex [115] [116] [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 349 [][][] [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 397 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Underfull \hbox (badness 10000) detected at line 660 [][][] [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Underfull \hbox (badness 10000) detected at line 724 [][][] Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 790 [][][] [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Underfull \hbox (badness 10000) detected at line 1100 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 136 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 614 [][][] Underfull \hbox (badness 10000) detected at line 638 [][][] [162] Underfull \hbox (badness 10000) detected at line 662 [][][] ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Underfull \hbox (badness 10000) detected at line 385 [][][] Underfull \hbox (badness 10000) detected at line 407 [][][] ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Underfull \hbox (badness 10000) detected at line 729 [][][] [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! [188] [189] Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190]) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 400 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 291 [][][] Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 290 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 663 [][][] [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Underfull \hbox (badness 10000) detected at line 254 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 214 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] [246] Underfull \hbox (badness 10000) detected at line 186 [][][] [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.409 on input line 261. Underfull \hbox (badness 10000) detected at line 276 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.410 on input line 309. [248] Underfull \hbox (badness 10000) detected at line 324 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.411 on input line 347. [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 546 [][][] [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Underfull \hbox (badness 10000) detected at line 742 [][][] [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Underfull \hbox (badness 10000) detected at line 956 [][][] Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Underfull \hbox (badness 10000) detected at line 1008 [][][] Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Underfull \hbox (badness 10000) detected at line 1252 [][][] [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Underfull \hbox (badness 10000) detected at line 1303 [][][] [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Underfull \hbox (badness 10000) detected at line 1373 [][][] [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] [271] Underfull \hbox (badness 10000) detected at line 208 [][][] ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.456 on input line 488. [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] Package longtable Warning: Column widths have changed (longtable) in table 7.460 on input line 892. [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] Package longtable Warning: Column widths have changed (longtable) in table 7.461 on input line 1035. [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] Package longtable Warning: Column widths have changed (longtable) in table 7.462 on input line 1214. [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] Package longtable Warning: Column widths have changed (longtable) in table 7.463 on input line 1367. [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.464 on input line 1431. [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] Package longtable Warning: Column widths have changed (longtable) in table 7.465 on input line 1567. [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Package longtable Warning: Column widths have changed (longtable) in table 7.466 on input line 1713. Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] Package longtable Warning: Column widths have changed (longtable) in table 7.471 on input line 2016. [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.475 on input line 2266. [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.477 on input line 2486. [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.478 on input line 2680. [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.479 on input line 2729. [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.480 on input line 2888. [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.482 on input line 3029. [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.484 on input line 3325. [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.485 on input line 3416. [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.486 on input line 3525. [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.488 on input line 3772. [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.489 on input line 3873. [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.493 on input line 4177. [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.494 on input line 4273. Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.495 on input line 4366. [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.498 on input line 4515. [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.499 on input line 4679. [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.502 on input line 4913. [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Underfull \hbox (badness 10000) detected at line 235 [][][] [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 748 [][][] [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 792 [][][] Underfull \hbox (badness 10000) detected at line 818 [][][] [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Underfull \hbox (badness 10000) detected at line 866 [][][] Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Underfull \hbox (badness 10000) detected at line 1528 [][][] [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Underfull \hbox (badness 10000) detected at line 1636 [][][] Underfull \hbox (badness 10000) detected at line 1650 [][][] [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 163 [][][] Underfull \hbox (badness 10000) detected at line 166 [][][] [507] Underfull \hbox (badness 10000) detected at line 169 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 189 [][][] [546] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] Underfull \hbox (badness 10000) detected at line 63 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [579] Underfull \hbox (badness 10000) detected at line 121 [][][] ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 95 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 95 [][][] Underfull \hbox (badness 10000) detected at line 98 [][][] Underfull \hbox (badness 10000) detected at line 101 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 154 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 102 [][][] [698] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 101 [][][] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 88 [][][] Underfull \hbox (badness 10000) detected at line 91 [][][] Underfull \hbox (badness 10000) detected at line 94 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] [741] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [742] [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__ incl.pdf> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 123 [][][] Underfull \hbox (badness 10000) detected at line 126 [][][] Underfull \hbox (badness 10000) detected at line 129 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 54--56 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [808] Underfull \hbox (badness 10000) detected at line 53 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 32--34 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 309 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 318--318 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [860] Underfull \hbox (badness 10000) detected at line 84 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [876] Underfull \hbox (badness 10000) detected at line 96 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 117 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 42. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 28 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [913] Underfull \hbox (badness 10000) detected at line 169 [][][] [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 93 [][][] [941] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] [942] Underfull \hbox (badness 10000) detected at line 165 [][][] ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 59--59 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 173 [][][] Underfull \hbox (badness 10000) detected at line 176 [][][] Underfull \hbox (badness 10000) detected at line 179 [][][] [966] Underfull \hbox (badness 10000) detected at line 261 [][][] [967] Underfull \hbox (badness 10000) detected at line 288 [][][] [968] Underfull \hbox (badness 10000) detected at line 384 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.7 on input line 394. Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.8 on input line 419. [969] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.9 on input line 444. Underfull \hbox (badness 10000) detected at line 459 [][][] Underfull \hbox (badness 10000) detected at line 462 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.10 on input line 469. Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] [970] Package longtable Warning: Column widths have changed (longtable) in table 9.11 on input line 494. Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.12 on input line 519. Underfull \hbox (badness 10000) detected at line 534 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] Underfull \hbox (badness 10000) detected at line 554 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] [971] Underfull \hbox (badness 10000) detected at line 574 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [972] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [973] Underfull \hbox (badness 10000) detected at line 734 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 768 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] [974] Underfull \hbox (badness 10000) detected at line 832 [][][] [975] Underfull \hbox (badness 10000) detected at line 876 [][][] [976] Underfull \hbox (badness 10000) detected at line 926 [][][] Underfull \hbox (badness 10000) detected at line 948 [][][] [977] Underfull \hbox (badness 10000) detected at line 970 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 995 [][][] Underfull \hbox (badness 10000) detected at line 1012 [][][] Underfull \hbox (badness 10000) detected at line 1015 [][][] [978] Underfull \hbox (badness 10000) detected at line 1037 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1062 [][][] Underfull \hbox (badness 10000) detected at line 1065 [][][] Underfull \hbox (badness 10000) detected at line 1097 [][][] [979] Underfull \hbox (badness 10000) detected at line 1114 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 238 [][][] Underfull \hbox (badness 10000) detected at line 241 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 406 [][][] Underfull \hbox (badness 10000) detected at line 423 [][][] [1125] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.24 on input line 479. Underfull \hbox (badness 10000) detected at line 494 [][][] Underfull \hbox (badness 10000) detected at line 497 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.25 on input line 504. [1126] Underfull \hbox (badness 10000) detected at line 519 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.26 on input line 529. Underfull \hbox (badness 10000) detected at line 544 [][][] Underfull \hbox (badness 10000) detected at line 547 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.27 on input line 554. Underfull \hbox (badness 10000) detected at line 569 [][][] Underfull \hbox (badness 10000) detected at line 572 [][][] [1127] Package longtable Warning: Column widths have changed (longtable) in table 9.28 on input line 579. Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 597 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.29 on input line 604. Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 622 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [1128] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 693 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] Underfull \hbox (badness 10000) detected at line 727 [][][] [1129] Underfull \hbox (badness 10000) detected at line 744 [][][] Underfull \hbox (badness 10000) detected at line 761 [][][] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 785 [][][] Underfull \hbox (badness 10000) detected at line 802 [][][] [1130] Underfull \hbox (badness 10000) detected at line 819 [][][] Underfull \hbox (badness 10000) detected at line 836 [][][] Underfull \hbox (badness 10000) detected at line 853 [][][] Underfull \hbox (badness 10000) detected at line 870 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] [1131] Underfull \hbox (badness 10000) detected at line 896 [][][] Underfull \hbox (badness 10000) detected at line 913 [][][] [1132] Underfull \hbox (badness 10000) detected at line 957 [][][] Underfull \hbox (badness 10000) detected at line 987 [][][] [1133] Underfull \hbox (badness 10000) detected at line 1009 [][][] Underfull \hbox (badness 10000) detected at line 1031 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1056 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1076 [][][] Underfull \hbox (badness 10000) detected at line 1098 [][][] Underfull \hbox (badness 10000) detected at line 1101 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] [1135] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1175 [][][] [1136] Underfull \hbox (badness 10000) detected at line 1207 [][][] Underfull \hbox (badness 10000) detected at line 1210 [][][] ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217] [1218] [1219] [1220] [1221] [1222] [1223]) (./build_pd_8h_source.tex [1224] [1225] [1226]) (./cgd_8c_source.tex) (./cgd_8h_source.tex [1227]) (./gsd_8c_source.tex [1228] [1229] [1230] [1231]) (./gsd_8h_source.tex [1232]) (./matvecd_8c_source.tex [1233] [1234] [1235] [1236] [1237] [1238] [1239] [1240] [1241] [1242] [1243] [1244] [1245]) (./matvecd_8h_source.tex [1246] [1247] [1248] [1249] [1250] [1251]) (./mgcsd_8c_source.tex [1252] [1253] [1254] [1255] [1256] [1257]) (./mgcsd_8h_source.tex [1258]) (./mgdrvd_8c_source.tex [1259] [1260] [1261] [1262] [1263] [1264] [1265]) (./mgdrvd_8h_source.tex [1266] [1267]) (./mgfasd_8c_source.tex [1268] [1269] [1270] [1271] [1272] [1273]) (./mgfasd_8h_source.tex [1274] [1275]) (./mgsubd_8c_source.tex [1276] [1277] [1278] [1279] [1280] [1281] [1282] [1283] [1284] [1285] [1286]) (./mgsubd_8h_source.tex [1287] [1288] [1289] [1290]) (./mikpckd_8c_source.tex [1291] [1292] [1293] [1294]) (./mikpckd_8h_source.tex [1295] [1296] [1297]) (./mlinpckd_8c_source.tex [1298] [1299]) (./mlinpckd_8h_source.tex) (./mypdec_8c_source.tex [1300] [1301] [1302] [1303] [1304] [1305] [1306]) (./mypdec_8h_source.tex [1307]) (./newdrvd_8c_source.tex [1308] [1309] [1310] [1311]) (./newdrvd_8h_source.tex [1312]) (./newtond_8c_source.tex [1313] [1314] [1315] [1316] [1317] [1318] [1319]) (./newtond_8h_source.tex [1320]) (./powerd_8c_source.tex [1321] [1322] [1323] [1324] [1325]) (./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 48--49 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 62--63 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy /m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 5817) in paragraph at lines 68--69 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 70--71 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1330] Underfull \hbox (badness 1442) in paragraph at lines 82--83 []\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/ m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 931) in paragraph at lines 88--89 []\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T 1/phv/m/n/10 fetk[][][], Gem Underfull \hbox (badness 2495) in paragraph at lines 90--91 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] [1331] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] ) (./routines_8c_source.tex [1332] [1333] [1334] [1335] [1336] [1337] [1338] [1339] [1340] [1341] [1342] [1343] [1344] [1345] [1346] [1347] [1348] [1349] [1350] [1351] [1352] [1353] [1354] [1355] [1356] [1357] [1358] [1359] [1360] [1361] [1362] [1363] [1364] [1365] [1366] [1367] [1368] [1369] [1370] [1371] [1372] [1373] [1374] [1375] [1376] [1377] [1378] [1379] [1380] [1381] [1382] [1383] [1384] [1385] [1386] [1387] [1388] [1389] [1390] [1391] [1392] [1393] [1394] [1395] [1396] [1397] [1398] [1399] [1400]) (./routines_8h.tex <./routine s_8h__incl.pdf> <./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 54--55 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 72--73 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 72--73 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 92--93 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 124--125 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] (./refman.ind [1411] [1412] [1413] [1414] [1415] [1416] [1417] [1418] [1419] [1420] [1421] [1422] [1423] [1424] [1425] [1426] [1427] [1428] [1429] [1430] [1431] [1432] [1433] [1434] [1435] [1436] [1437] [1438] [1439] [1440] [1441] [1442] [1443] [1444] [1445] [1446] [1447] [1448] [1449] [1450] [1451] [1452] [1453] [1454] [1455] [1456] [1457] [1458] [1459]) Package longtable Warning: Table widths have changed. Rerun LaTeX. (./refman.aux) Package rerunfilecheck Warning: File `refman.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information)< /usr/share/texlive/texmf-dist/fonts/type1/urw/courier/ucrro8a.pfb> Output written on refman.pdf (1517 pages, 6330626 bytes). Transcript written on refman.log. Package longtable Warning: Table widths have changed. Rerun LaTeX. Rerunning latex.... 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(/usr/share/texlive/texmf-dist/tex/latex/wasysym/uwasy.fd) [1{/var/lib/texmf/fo nts/map/pdftex/updmap/pdftex.map}{/usr/share/texlive/texmf-dist/fonts/enc/dvips /base/8r.enc}] [2] [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] [39] [40] [41] [42] [43] [44] [45] [46] [47] [48] [49] [50] [51] [52] [53] [54] [55] [56] (./index.tex Chapter 1. (/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1phv.fd) (/usr/share/texlive/texmf-dist/tex/latex/psnfss/t1pcr.fd) [1] (/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1pcr.fd) [2]) (./bug.tex [3] [4] Chapter 2. [5] [6]) (./deprecated.tex [7] [8] Chapter 3. ) [9] [10] Chapter 4. (./topics.tex) [11] [12] Chapter 5. (./annotated.tex [13]) [14] Chapter 6. (./files.tex [15] [16] [17]) [18] Chapter 7. (./group___header.tex) (./group___vcsm.tex [19] Underfull \hbox (badness 10000) detected at line 93 [][][] [20] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [21] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] Underfull \hbox (badness 10000) detected at line 223 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Overfull \vbox (4.57304pt too high) has occurred while \output is active [22] Underfull \hbox (badness 10000) detected at line 252 [][][] Underfull \hbox (badness 10000) detected at line 255 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 284 [][][] [23] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 338 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] [24] Underfull \hbox (badness 10000) detected at line 393 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [25] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] ) (./group___vfetk.tex [26] [27] [28] [29] [30] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] [31] Underfull \hbox (badness 10000) detected at line 398 [][][] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 463 [][][] Underfull \hbox (badness 10000) detected at line 466 [][][] [32] Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 498 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] [33] Underfull \hbox (badness 10000) detected at line 559 [][][] Underfull \hbox (badness 10000) detected at line 569 [][][] [34] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 615 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] [35] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 661 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [36] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 779 [][][] [37] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 804 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 810 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 837 [][][] [38] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 862 [][][] Underfull \hbox (badness 10000) detected at line 865 [][][] Underfull \hbox (badness 10000) detected at line 889 [][][] Underfull \hbox (badness 10000) detected at line 892 [][][] [39] Underfull \hbox (badness 10000) detected at line 914 [][][] Underfull \hbox (badness 10000) detected at line 917 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Overfull \vbox (16.42432pt too high) has occurred while \output is active [40] Underfull \hbox (badness 10000) detected at line 989 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] Underfull \hbox (badness 10000) detected at line 1017 [][][] [41] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1046 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] [42] Underfull \hbox (badness 10000) detected at line 1136 [][][] Underfull \hbox (badness 10000) detected at line 1139 [][][] [43] Underfull \hbox (badness 10000) detected at line 1169 [][][] Underfull \hbox (badness 10000) detected at line 1172 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1197 [][][] Underfull \hbox (badness 10000) detected at line 1222 [][][] [44] [45] Underfull \hbox (badness 10000) detected at line 1255 [][][] Underfull \hbox (badness 10000) detected at line 1258 [][][] Underfull \hbox (badness 10000) detected at line 1288 [][][] [46] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1317 [][][] Underfull \hbox (badness 10000) detected at line 1345 [][][] [47] Underfull \hbox (badness 10000) detected at line 1375 [][][] Underfull \hbox (badness 10000) detected at line 1409 [][][] [48] Underfull \hbox (badness 10000) detected at line 1412 [][][] Underfull \hbox (badness 10000) detected at line 1438 [][][] Underfull \hbox (badness 10000) detected at line 1441 [][][] [49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Underfull \hbox (badness 10000) detected at line 1735 [][][] Underfull \hbox (badness 10000) detected at line 1745 [][][] [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Underfull \hbox (badness 10000) detected at line 1851 [][][] Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56]) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] [60] Underfull \hbox (badness 10000) detected at line 241 [][][] Underfull \hbox (badness 10000) detected at line 244 [][][] ) (./group___a_p_o_lparm.tex [61] [62] [63] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 220 [][][] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] [64] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] ) (./group___b_e_mparm.tex [65] [66] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 133 [][][] [67] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] [68] Underfull \hbox (badness 10000) detected at line 224 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] ) (./group___f_e_mparm.tex [69] [70] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [71] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 231 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] [72] Underfull \hbox (badness 10000) detected at line 280 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] [73] Underfull \hbox (badness 10000) detected at line 354 [][][] ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Underfull \hbox (badness 10000) detected at line 173 [][][] Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] ) (./group___n_osh.tex [88] [89] [90] [91] [92] Underfull \hbox (badness 10000) detected at line 431 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 482 [][][] Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Underfull \hbox (badness 10000) detected at line 1224 [][][] [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Underfull \hbox (badness 10000) detected at line 1261 [][][] ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 221 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Underfull \hbox (badness 10000) detected at line 295 [][][] [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 365 [][][] [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Underfull \hbox (badness 10000) detected at line 413 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 485 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] Underfull \hbox (badness 10000) detected at line 581 [][][] [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Underfull \hbox (badness 10000) detected at line 634 [][][] ) (./group___p_b_eparm.tex [115] [116] [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 349 [][][] [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 397 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Underfull \hbox (badness 10000) detected at line 660 [][][] [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Underfull \hbox (badness 10000) detected at line 724 [][][] Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 790 [][][] [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Underfull \hbox (badness 10000) detected at line 1100 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 136 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 614 [][][] Underfull \hbox (badness 10000) detected at line 638 [][][] [162] Underfull \hbox (badness 10000) detected at line 662 [][][] ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Underfull \hbox (badness 10000) detected at line 385 [][][] Underfull \hbox (badness 10000) detected at line 407 [][][] ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Underfull \hbox (badness 10000) detected at line 729 [][][] [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! [188] [189] Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190]) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 400 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 291 [][][] Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 290 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 663 [][][] [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Underfull \hbox (badness 10000) detected at line 254 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 214 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] [246] Underfull \hbox (badness 10000) detected at line 186 [][][] [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] [248] Underfull \hbox (badness 10000) detected at line 324 [][][] [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 546 [][][] [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Underfull \hbox (badness 10000) detected at line 742 [][][] [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Underfull \hbox (badness 10000) detected at line 956 [][][] Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Underfull \hbox (badness 10000) detected at line 1008 [][][] Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Underfull \hbox (badness 10000) detected at line 1252 [][][] [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Underfull \hbox (badness 10000) detected at line 1303 [][][] [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Underfull \hbox (badness 10000) detected at line 1373 [][][] [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] [271] Underfull \hbox (badness 10000) detected at line 208 [][][] ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Underfull \hbox (badness 10000) detected at line 235 [][][] [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 748 [][][] [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 792 [][][] Underfull \hbox (badness 10000) detected at line 818 [][][] [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Underfull \hbox (badness 10000) detected at line 866 [][][] Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Underfull \hbox (badness 10000) detected at line 1528 [][][] [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Underfull \hbox (badness 10000) detected at line 1636 [][][] Underfull \hbox (badness 10000) detected at line 1650 [][][] [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 163 [][][] Underfull \hbox (badness 10000) detected at line 166 [][][] [507] Underfull \hbox (badness 10000) detected at line 169 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 189 [][][] [546] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] Underfull \hbox (badness 10000) detected at line 63 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [579] Underfull \hbox (badness 10000) detected at line 121 [][][] ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 95 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 95 [][][] Underfull \hbox (badness 10000) detected at line 98 [][][] Underfull \hbox (badness 10000) detected at line 101 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 154 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 102 [][][] [698] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 101 [][][] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 88 [][][] Underfull \hbox (badness 10000) detected at line 91 [][][] Underfull \hbox (badness 10000) detected at line 94 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] [741] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [742] [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__ incl.pdf> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 123 [][][] Underfull \hbox (badness 10000) detected at line 126 [][][] Underfull \hbox (badness 10000) detected at line 129 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 54--56 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [808] Underfull \hbox (badness 10000) detected at line 53 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 32--34 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 309 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 318--318 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [860] Underfull \hbox (badness 10000) detected at line 84 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [876] Underfull \hbox (badness 10000) detected at line 96 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 117 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 42. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 28 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [913] Underfull \hbox (badness 10000) detected at line 169 [][][] [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 93 [][][] [941] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] [942] Underfull \hbox (badness 10000) detected at line 165 [][][] ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 59--59 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 173 [][][] Underfull \hbox (badness 10000) detected at line 176 [][][] Underfull \hbox (badness 10000) detected at line 179 [][][] [966] Underfull \hbox (badness 10000) detected at line 261 [][][] [967] Underfull \hbox (badness 10000) detected at line 288 [][][] [968] Underfull \hbox (badness 10000) detected at line 384 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [969] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] Underfull \hbox (badness 10000) detected at line 459 [][][] Underfull \hbox (badness 10000) detected at line 462 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] [970] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 534 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] Underfull \hbox (badness 10000) detected at line 554 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] [971] Underfull \hbox (badness 10000) detected at line 574 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [972] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [973] Underfull \hbox (badness 10000) detected at line 734 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 768 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] [974] Underfull \hbox (badness 10000) detected at line 832 [][][] [975] Underfull \hbox (badness 10000) detected at line 876 [][][] [976] Underfull \hbox (badness 10000) detected at line 926 [][][] Underfull \hbox (badness 10000) detected at line 948 [][][] [977] Underfull \hbox (badness 10000) detected at line 970 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 995 [][][] Underfull \hbox (badness 10000) detected at line 1012 [][][] Underfull \hbox (badness 10000) detected at line 1015 [][][] [978] Underfull \hbox (badness 10000) detected at line 1037 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1062 [][][] Underfull \hbox (badness 10000) detected at line 1065 [][][] Underfull \hbox (badness 10000) detected at line 1097 [][][] [979] Underfull \hbox (badness 10000) detected at line 1114 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 238 [][][] Underfull \hbox (badness 10000) detected at line 241 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 406 [][][] Underfull \hbox (badness 10000) detected at line 423 [][][] [1125] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] Underfull \hbox (badness 10000) detected at line 497 [][][] [1126] Underfull \hbox (badness 10000) detected at line 519 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Underfull \hbox (badness 10000) detected at line 544 [][][] Underfull \hbox (badness 10000) detected at line 547 [][][] Underfull \hbox (badness 10000) detected at line 569 [][][] Underfull \hbox (badness 10000) detected at line 572 [][][] [1127] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 597 [][][] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 622 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [1128] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 693 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] Underfull \hbox (badness 10000) detected at line 727 [][][] [1129] Underfull \hbox (badness 10000) detected at line 744 [][][] Underfull \hbox (badness 10000) detected at line 761 [][][] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 785 [][][] Underfull \hbox (badness 10000) detected at line 802 [][][] [1130] Underfull \hbox (badness 10000) detected at line 819 [][][] Underfull \hbox (badness 10000) detected at line 836 [][][] Underfull \hbox (badness 10000) detected at line 853 [][][] Underfull \hbox (badness 10000) detected at line 870 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] [1131] Underfull \hbox (badness 10000) detected at line 896 [][][] Underfull \hbox (badness 10000) detected at line 913 [][][] [1132] Underfull \hbox (badness 10000) detected at line 957 [][][] Underfull \hbox (badness 10000) detected at line 987 [][][] [1133] Underfull \hbox (badness 10000) detected at line 1009 [][][] Underfull \hbox (badness 10000) detected at line 1031 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1056 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1076 [][][] Underfull \hbox (badness 10000) detected at line 1098 [][][] Underfull \hbox (badness 10000) detected at line 1101 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] [1135] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1175 [][][] [1136] Underfull \hbox (badness 10000) detected at line 1207 [][][] Underfull \hbox (badness 10000) detected at line 1210 [][][] ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217] [1218] [1219] [1220] [1221] [1222] [1223]) (./build_pd_8h_source.tex [1224] [1225] [1226]) (./cgd_8c_source.tex) (./cgd_8h_source.tex [1227]) (./gsd_8c_source.tex [1228] [1229] [1230] [1231]) (./gsd_8h_source.tex [1232]) (./matvecd_8c_source.tex [1233] [1234] [1235] [1236] [1237] [1238] [1239] [1240] [1241] [1242] [1243] [1244] [1245]) (./matvecd_8h_source.tex [1246] [1247] [1248] [1249] [1250] [1251]) (./mgcsd_8c_source.tex [1252] [1253] [1254] [1255] [1256] [1257]) (./mgcsd_8h_source.tex [1258]) (./mgdrvd_8c_source.tex [1259] [1260] [1261] [1262] [1263] [1264] [1265]) (./mgdrvd_8h_source.tex [1266] [1267]) (./mgfasd_8c_source.tex [1268] [1269] [1270] [1271] [1272] [1273]) (./mgfasd_8h_source.tex [1274] [1275]) (./mgsubd_8c_source.tex [1276] [1277] [1278] [1279] [1280] [1281] [1282] [1283] [1284] [1285] [1286]) (./mgsubd_8h_source.tex [1287] [1288] [1289] [1290]) (./mikpckd_8c_source.tex [1291] [1292] [1293] [1294]) (./mikpckd_8h_source.tex [1295] [1296] [1297]) (./mlinpckd_8c_source.tex [1298] [1299]) (./mlinpckd_8h_source.tex) (./mypdec_8c_source.tex [1300] [1301] [1302] [1303] [1304] [1305] [1306]) (./mypdec_8h_source.tex [1307]) (./newdrvd_8c_source.tex [1308] [1309] [1310] [1311]) (./newdrvd_8h_source.tex [1312]) (./newtond_8c_source.tex [1313] [1314] [1315] [1316] [1317] [1318] [1319]) (./newtond_8h_source.tex [1320]) (./powerd_8c_source.tex [1321] [1322] [1323] [1324] [1325]) (./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 48--49 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 62--63 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy /m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 5817) in paragraph at lines 68--69 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 70--71 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1330] Underfull \hbox (badness 1442) in paragraph at lines 82--83 []\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/ m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 931) in paragraph at lines 88--89 []\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T 1/phv/m/n/10 fetk[][][], Gem Underfull \hbox (badness 2495) in paragraph at lines 90--91 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] [1331] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] ) (./routines_8c_source.tex [1332] [1333] [1334] [1335] [1336] [1337] [1338] [1339] [1340] [1341] [1342] [1343] [1344] [1345] [1346] [1347] [1348] [1349] [1350] [1351] [1352] [1353] [1354] [1355] [1356] [1357] [1358] [1359] [1360] [1361] [1362] [1363] [1364] [1365] [1366] [1367] [1368] [1369] [1370] [1371] [1372] [1373] [1374] [1375] [1376] [1377] [1378] [1379] [1380] [1381] [1382] [1383] [1384] [1385] [1386] [1387] [1388] [1389] [1390] [1391] [1392] [1393] [1394] [1395] [1396] [1397] [1398] [1399] [1400]) (./routines_8h.tex <./routine s_8h__incl.pdf> <./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 54--55 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 72--73 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 72--73 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 92--93 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 124--125 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] (./refman.ind [1411] [1412] [1413] [1414] [1415] [1416] [1417] [1418] [1419] [1420] [1421] [1422] [1423] [1424] [1425] [1426] [1427] [1428] [1429] [1430] [1431] [1432] [1433] [1434] [1435] [1436] [1437] [1438] [1439] [1440] [1441] [1442] [1443] [1444] [1445] [1446] [1447] [1448] [1449] [1450] [1451] [1452] [1453] [1454] [1455] [1456] [1457] [1458] [1459]) (./refman.aux) ) (see the transcript file for additional information)< /usr/share/texlive/texmf-dist/fonts/type1/urw/courier/ucrro8a.pfb> Output written on refman.pdf (1517 pages, 6332919 bytes). Transcript written on refman.log. This is makeindex, version 2.17 [TeX Live 2023] (kpathsea + Thai support). Scanning input file refman.idx.......done (3687 entries accepted, 0 rejected). Sorting entries...................................done (46845 comparisons). Generating output file refman.ind.......done (5317 lines written, 0 warnings). Output written in refman.ind. Transcript written in refman.ilg. 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(/usr/share/texlive/texmf-dist/tex/latex/wasysym/uwasy.fd) [1{/var/lib/texmf/fo nts/map/pdftex/updmap/pdftex.map}{/usr/share/texlive/texmf-dist/fonts/enc/dvips /base/8r.enc}] [2] [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33] [34] [35] [36] [37] [38] [39] [40] [41] [42] [43] [44] [45] [46] [47] [48] [49] [50] [51] [52] [53] [54] [55] [56] (./index.tex Chapter 1. (/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1phv.fd) (/usr/share/texlive/texmf-dist/tex/latex/psnfss/t1pcr.fd) [1] (/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1pcr.fd) [2]) (./bug.tex [3] [4] Chapter 2. [5] [6]) (./deprecated.tex [7] [8] Chapter 3. ) [9] [10] Chapter 4. (./topics.tex) [11] [12] Chapter 5. (./annotated.tex [13]) [14] Chapter 6. (./files.tex [15] [16] [17]) [18] Chapter 7. (./group___header.tex) (./group___vcsm.tex [19] Underfull \hbox (badness 10000) detected at line 93 [][][] [20] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [21] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] Underfull \hbox (badness 10000) detected at line 223 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Overfull \vbox (4.57304pt too high) has occurred while \output is active [22] Underfull \hbox (badness 10000) detected at line 252 [][][] Underfull \hbox (badness 10000) detected at line 255 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 284 [][][] [23] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 338 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] [24] Underfull \hbox (badness 10000) detected at line 393 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [25] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] ) (./group___vfetk.tex [26] [27] [28] [29] [30] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] [31] Underfull \hbox (badness 10000) detected at line 398 [][][] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 463 [][][] Underfull \hbox (badness 10000) detected at line 466 [][][] [32] Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 498 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] [33] Underfull \hbox (badness 10000) detected at line 559 [][][] Underfull \hbox (badness 10000) detected at line 569 [][][] [34] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 615 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] [35] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 661 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [36] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 779 [][][] [37] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 804 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 810 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 837 [][][] [38] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 862 [][][] Underfull \hbox (badness 10000) detected at line 865 [][][] Underfull \hbox (badness 10000) detected at line 889 [][][] Underfull \hbox (badness 10000) detected at line 892 [][][] [39] Underfull \hbox (badness 10000) detected at line 914 [][][] Underfull \hbox (badness 10000) detected at line 917 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Overfull \vbox (16.42432pt too high) has occurred while \output is active [40] Underfull \hbox (badness 10000) detected at line 989 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] Underfull \hbox (badness 10000) detected at line 1017 [][][] [41] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1046 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] [42] Underfull \hbox (badness 10000) detected at line 1136 [][][] Underfull \hbox (badness 10000) detected at line 1139 [][][] [43] Underfull \hbox (badness 10000) detected at line 1169 [][][] Underfull \hbox (badness 10000) detected at line 1172 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1197 [][][] Underfull \hbox (badness 10000) detected at line 1222 [][][] [44] [45] Underfull \hbox (badness 10000) detected at line 1255 [][][] Underfull \hbox (badness 10000) detected at line 1258 [][][] Underfull \hbox (badness 10000) detected at line 1288 [][][] [46] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1317 [][][] Underfull \hbox (badness 10000) detected at line 1345 [][][] [47] Underfull \hbox (badness 10000) detected at line 1375 [][][] Underfull \hbox (badness 10000) detected at line 1409 [][][] [48] Underfull \hbox (badness 10000) detected at line 1412 [][][] Underfull \hbox (badness 10000) detected at line 1438 [][][] Underfull \hbox (badness 10000) detected at line 1441 [][][] [49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Underfull \hbox (badness 10000) detected at line 1735 [][][] Underfull \hbox (badness 10000) detected at line 1745 [][][] [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Underfull \hbox (badness 10000) detected at line 1851 [][][] Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56]) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] [60] Underfull \hbox (badness 10000) detected at line 241 [][][] Underfull \hbox (badness 10000) detected at line 244 [][][] ) (./group___a_p_o_lparm.tex [61] [62] [63] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 220 [][][] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] [64] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] ) (./group___b_e_mparm.tex [65] [66] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 133 [][][] [67] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] [68] Underfull \hbox (badness 10000) detected at line 224 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] ) (./group___f_e_mparm.tex [69] [70] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [71] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 231 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] [72] Underfull \hbox (badness 10000) detected at line 280 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] [73] Underfull \hbox (badness 10000) detected at line 354 [][][] ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Underfull \hbox (badness 10000) detected at line 173 [][][] Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] ) (./group___n_osh.tex [88] [89] [90] [91] [92] Underfull \hbox (badness 10000) detected at line 431 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 482 [][][] Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Underfull \hbox (badness 10000) detected at line 1224 [][][] [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Underfull \hbox (badness 10000) detected at line 1261 [][][] ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 221 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Underfull \hbox (badness 10000) detected at line 295 [][][] [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 365 [][][] [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Underfull \hbox (badness 10000) detected at line 413 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 485 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] Underfull \hbox (badness 10000) detected at line 581 [][][] [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Underfull \hbox (badness 10000) detected at line 634 [][][] ) (./group___p_b_eparm.tex [115] [116] [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 349 [][][] [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 397 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Underfull \hbox (badness 10000) detected at line 660 [][][] [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Underfull \hbox (badness 10000) detected at line 724 [][][] Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 790 [][][] [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Underfull \hbox (badness 10000) detected at line 1100 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 136 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 614 [][][] Underfull \hbox (badness 10000) detected at line 638 [][][] [162] Underfull \hbox (badness 10000) detected at line 662 [][][] ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Underfull \hbox (badness 10000) detected at line 385 [][][] Underfull \hbox (badness 10000) detected at line 407 [][][] ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Underfull \hbox (badness 10000) detected at line 729 [][][] [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! [188] [189] Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190]) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 400 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 291 [][][] Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 290 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 663 [][][] [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Underfull \hbox (badness 10000) detected at line 254 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 214 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] [246] Underfull \hbox (badness 10000) detected at line 186 [][][] [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] [248] Underfull \hbox (badness 10000) detected at line 324 [][][] [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 546 [][][] [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Underfull \hbox (badness 10000) detected at line 742 [][][] [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Underfull \hbox (badness 10000) detected at line 956 [][][] Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Underfull \hbox (badness 10000) detected at line 1008 [][][] Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Underfull \hbox (badness 10000) detected at line 1252 [][][] [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Underfull \hbox (badness 10000) detected at line 1303 [][][] [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Underfull \hbox (badness 10000) detected at line 1373 [][][] [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] [271] Underfull \hbox (badness 10000) detected at line 208 [][][] ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Underfull \hbox (badness 10000) detected at line 235 [][][] [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 748 [][][] [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 792 [][][] Underfull \hbox (badness 10000) detected at line 818 [][][] [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Underfull \hbox (badness 10000) detected at line 866 [][][] Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Underfull \hbox (badness 10000) detected at line 1528 [][][] [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Underfull \hbox (badness 10000) detected at line 1636 [][][] Underfull \hbox (badness 10000) detected at line 1650 [][][] [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 163 [][][] Underfull \hbox (badness 10000) detected at line 166 [][][] [507] Underfull \hbox (badness 10000) detected at line 169 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 189 [][][] [546] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] Underfull \hbox (badness 10000) detected at line 63 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [579] Underfull \hbox (badness 10000) detected at line 121 [][][] ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 95 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 95 [][][] Underfull \hbox (badness 10000) detected at line 98 [][][] Underfull \hbox (badness 10000) detected at line 101 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 154 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 102 [][][] [698] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 101 [][][] Underfull \hbox (badness 10000) detected at line 104 [][][] Underfull \hbox (badness 10000) detected at line 107 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 88 [][][] Underfull \hbox (badness 10000) detected at line 91 [][][] Underfull \hbox (badness 10000) detected at line 94 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 107 [][][] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] [741] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [742] [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__ incl.pdf> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 123 [][][] Underfull \hbox (badness 10000) detected at line 126 [][][] Underfull \hbox (badness 10000) detected at line 129 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 54--56 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 83 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [808] Underfull \hbox (badness 10000) detected at line 53 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 32--34 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 309 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 318--318 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [860] Underfull \hbox (badness 10000) detected at line 84 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [876] Underfull \hbox (badness 10000) detected at line 96 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 117 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 31 [][][] Underfull \hbox (badness 10000) detected at line 34 [][][] Underfull \hbox (badness 10000) detected at line 37 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 42. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 28 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [913] Underfull \hbox (badness 10000) detected at line 169 [][][] [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 93 [][][] [941] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] [942] Underfull \hbox (badness 10000) detected at line 165 [][][] ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 59--59 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] Underfull \hbox (badness 10000) detected at line 77 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 44 [][][] Underfull \hbox (badness 10000) detected at line 47 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 173 [][][] Underfull \hbox (badness 10000) detected at line 176 [][][] Underfull \hbox (badness 10000) detected at line 179 [][][] [966] Underfull \hbox (badness 10000) detected at line 261 [][][] [967] Underfull \hbox (badness 10000) detected at line 288 [][][] [968] Underfull \hbox (badness 10000) detected at line 384 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [969] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] Underfull \hbox (badness 10000) detected at line 459 [][][] Underfull \hbox (badness 10000) detected at line 462 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] [970] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 534 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] Underfull \hbox (badness 10000) detected at line 554 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] [971] Underfull \hbox (badness 10000) detected at line 574 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [972] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [973] Underfull \hbox (badness 10000) detected at line 734 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 768 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] [974] Underfull \hbox (badness 10000) detected at line 832 [][][] [975] Underfull \hbox (badness 10000) detected at line 876 [][][] [976] Underfull \hbox (badness 10000) detected at line 926 [][][] Underfull \hbox (badness 10000) detected at line 948 [][][] [977] Underfull \hbox (badness 10000) detected at line 970 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 995 [][][] Underfull \hbox (badness 10000) detected at line 1012 [][][] Underfull \hbox (badness 10000) detected at line 1015 [][][] [978] Underfull \hbox (badness 10000) detected at line 1037 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1062 [][][] Underfull \hbox (badness 10000) detected at line 1065 [][][] Underfull \hbox (badness 10000) detected at line 1097 [][][] [979] Underfull \hbox (badness 10000) detected at line 1114 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 238 [][][] Underfull \hbox (badness 10000) detected at line 241 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 406 [][][] Underfull \hbox (badness 10000) detected at line 423 [][][] [1125] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] Underfull \hbox (badness 10000) detected at line 497 [][][] [1126] Underfull \hbox (badness 10000) detected at line 519 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Underfull \hbox (badness 10000) detected at line 544 [][][] Underfull \hbox (badness 10000) detected at line 547 [][][] Underfull \hbox (badness 10000) detected at line 569 [][][] Underfull \hbox (badness 10000) detected at line 572 [][][] [1127] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 597 [][][] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 622 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 642 [][][] [1128] Underfull \hbox (badness 10000) detected at line 659 [][][] Underfull \hbox (badness 10000) detected at line 676 [][][] Underfull \hbox (badness 10000) detected at line 693 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] Underfull \hbox (badness 10000) detected at line 727 [][][] [1129] Underfull \hbox (badness 10000) detected at line 744 [][][] Underfull \hbox (badness 10000) detected at line 761 [][][] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 785 [][][] Underfull \hbox (badness 10000) detected at line 802 [][][] [1130] Underfull \hbox (badness 10000) detected at line 819 [][][] Underfull \hbox (badness 10000) detected at line 836 [][][] Underfull \hbox (badness 10000) detected at line 853 [][][] Underfull \hbox (badness 10000) detected at line 870 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] [1131] Underfull \hbox (badness 10000) detected at line 896 [][][] Underfull \hbox (badness 10000) detected at line 913 [][][] [1132] Underfull \hbox (badness 10000) detected at line 957 [][][] Underfull \hbox (badness 10000) detected at line 987 [][][] [1133] Underfull \hbox (badness 10000) detected at line 1009 [][][] Underfull \hbox (badness 10000) detected at line 1031 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1056 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1076 [][][] Underfull \hbox (badness 10000) detected at line 1098 [][][] Underfull \hbox (badness 10000) detected at line 1101 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] [1135] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1175 [][][] [1136] Underfull \hbox (badness 10000) detected at line 1207 [][][] Underfull \hbox (badness 10000) detected at line 1210 [][][] ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217] [1218] [1219] [1220] [1221] [1222] [1223]) (./build_pd_8h_source.tex [1224] [1225] [1226]) (./cgd_8c_source.tex) (./cgd_8h_source.tex [1227]) (./gsd_8c_source.tex [1228] [1229] [1230] [1231]) (./gsd_8h_source.tex [1232]) (./matvecd_8c_source.tex [1233] [1234] [1235] [1236] [1237] [1238] [1239] [1240] [1241] [1242] [1243] [1244] [1245]) (./matvecd_8h_source.tex [1246] [1247] [1248] [1249] [1250] [1251]) (./mgcsd_8c_source.tex [1252] [1253] [1254] [1255] [1256] [1257]) (./mgcsd_8h_source.tex [1258]) (./mgdrvd_8c_source.tex [1259] [1260] [1261] [1262] [1263] [1264] [1265]) (./mgdrvd_8h_source.tex [1266] [1267]) (./mgfasd_8c_source.tex [1268] [1269] [1270] [1271] [1272] [1273]) (./mgfasd_8h_source.tex [1274] [1275]) (./mgsubd_8c_source.tex [1276] [1277] [1278] [1279] [1280] [1281] [1282] [1283] [1284] [1285] [1286]) (./mgsubd_8h_source.tex [1287] [1288] [1289] [1290]) (./mikpckd_8c_source.tex [1291] [1292] [1293] [1294]) (./mikpckd_8h_source.tex [1295] [1296] [1297]) (./mlinpckd_8c_source.tex [1298] [1299]) (./mlinpckd_8h_source.tex) (./mypdec_8c_source.tex [1300] [1301] [1302] [1303] [1304] [1305] [1306]) (./mypdec_8h_source.tex [1307]) (./newdrvd_8c_source.tex [1308] [1309] [1310] [1311]) (./newdrvd_8h_source.tex [1312]) (./newtond_8c_source.tex [1313] [1314] [1315] [1316] [1317] [1318] [1319]) (./newtond_8h_source.tex [1320]) (./powerd_8c_source.tex [1321] [1322] [1323] [1324] [1325]) (./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 48--49 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 48--49 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 62--63 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy /m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 5817) in paragraph at lines 68--69 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 70--71 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1330] Underfull \hbox (badness 1442) in paragraph at lines 82--83 []\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/ m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 931) in paragraph at lines 88--89 []\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T 1/phv/m/n/10 fetk[][][], Gem Underfull \hbox (badness 2495) in paragraph at lines 90--91 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] [1331] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] ) (./routines_8c_source.tex [1332] [1333] [1334] [1335] [1336] [1337] [1338] [1339] [1340] [1341] [1342] [1343] [1344] [1345] [1346] [1347] [1348] [1349] [1350] [1351] [1352] [1353] [1354] [1355] [1356] [1357] [1358] [1359] [1360] [1361] [1362] [1363] [1364] [1365] [1366] [1367] [1368] [1369] [1370] [1371] [1372] [1373] [1374] [1375] [1376] [1377] [1378] [1379] [1380] [1381] [1382] [1383] [1384] [1385] [1386] [1387] [1388] [1389] [1390] [1391] [1392] [1393] [1394] [1395] [1396] [1397] [1398] [1399] [1400]) (./routines_8h.tex <./routine s_8h__incl.pdf> <./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 54--55 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 72--73 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 72--73 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 92--93 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 124--125 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] (./refman.ind [1411] [1412] [1413] [1414] [1415] [1416] [1417] [1418] [1419] [1420] [1421] [1422] [1423] [1424] [1425] [1426] [1427] [1428] [1429] [1430] [1431] [1432] [1433] [1434] [1435] [1436] [1437] [1438] [1439] [1440] [1441] [1442] [1443] [1444] [1445] [1446] [1447] [1448] [1449] [1450] [1451] [1452] [1453] [1454] [1455] [1456] [1457] [1458] [1459]) (./refman.aux) ) (see the transcript file for additional information)< /usr/share/texlive/texmf-dist/fonts/type1/urw/courier/ucrro8a.pfb> Output written on refman.pdf (1517 pages, 6332919 bytes). Transcript written on refman.log. [ 55%] Built target doc-pdf [ 56%] Building C object tools/mesh/CMakeFiles/mgmesh.dir/mgmesh.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mgmesh.c:10: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 57%] Linking C executable ../bin/mgmesh [ 57%] Built target mgmesh [ 58%] Building C object tools/mesh/CMakeFiles/smooth.dir/smooth.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/smooth.c:13: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 59%] Linking C executable ../bin/smooth [ 59%] Built target smooth [ 60%] Building C object tools/mesh/CMakeFiles/dxmath.dir/dxmath.c.o /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dxmath.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dxmath.c:41:10: warning: unused variable ‘format’ [-Wunused-variable] 41 | char format[VMAX_BUFSIZE]; | ^~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dxmath.c:13: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 62%] Linking C executable ../bin/dxmath [ 62%] Built target dxmath [ 63%] Building C object tools/mesh/CMakeFiles/mergedx.dir/mergedx.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:8: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:81:13: warning: ‘nx’ may be used uninitialized [-Wmaybe-uninitialized] 81 | mgrid = Vgrid_ctor(nx, ny, nz, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, VNULL); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:29:9: note: ‘nx’ was declared here 29 | int nx, ny, nz, count, numfnams; | ^~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:81:13: warning: ‘nz’ may be used uninitialized [-Wmaybe-uninitialized] 81 | mgrid = Vgrid_ctor(nx, ny, nz, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, VNULL); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:29:17: note: ‘nz’ was declared here 29 | int nx, ny, nz, count, numfnams; | ^~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:81:13: warning: ‘ny’ may be used uninitialized [-Wmaybe-uninitialized] 81 | mgrid = Vgrid_ctor(nx, ny, nz, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, VNULL); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx.c:29:13: note: ‘ny’ was declared here 29 | int nx, ny, nz, count, numfnams; | ^~ [ 64%] Linking C executable ../bin/mergedx [ 64%] Built target mergedx [ 65%] Building C object tools/mesh/CMakeFiles/mergedx2.dir/mergedx2.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/mergedx2.c:8: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 66%] Linking C executable ../bin/mergedx2 [ 66%] Built target mergedx2 [ 67%] Building C object tools/mesh/CMakeFiles/value.dir/value.c.o /builddir/build/BUILD/apbs-3.0.0/tools/mesh/value.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/value.c:37:9: warning: unused variable ‘inorm’ [-Wunused-variable] 37 | int inorm; | ^~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/value.c:8: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 68%] Linking C executable ../bin/value [ 68%] Built target value [ 70%] Building C object tools/mesh/CMakeFiles/multivalue.dir/multivalue.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/multivalue.c:46: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 71%] Linking C executable ../bin/multivalue [ 71%] Built target multivalue [ 72%] Building C object tools/mesh/CMakeFiles/benchmark.dir/benchmark.c.o /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:28:12: warning: unused variable ‘grid’ [-Wunused-variable] 28 | Vgrid *grid; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:58: warning: unused variable ‘sum’ [-Wunused-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:51: warning: unused variable ‘value’ [-Wunused-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:44: warning: unused variable ‘pt’ [-Wunused-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:38: warning: variable ‘zmin’ set but not used [-Wunused-but-set-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:32: warning: variable ‘ymin’ set but not used [-Wunused-but-set-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:26: warning: variable ‘xmin’ set but not used [-Wunused-but-set-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:20: warning: variable ‘hzed’ set but not used [-Wunused-but-set-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:16: warning: variable ‘hx’ set but not used [-Wunused-but-set-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:18:12: warning: variable ‘hy’ set but not used [-Wunused-but-set-variable] 18 | double hy, hx, hzed, xmin, ymin, zmin, pt[3], value, sum, dtmp; | ^~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:17:27: warning: unused variable ‘k’ [-Wunused-variable] 17 | int nx, ny, nz, i, j, k, itmp; | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:17:24: warning: unused variable ‘j’ [-Wunused-variable] 17 | int nx, ny, nz, i, j, k, itmp; | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:17:21: warning: unused variable ‘i’ [-Wunused-variable] 17 | int nx, ny, nz, i, j, k, itmp; | ^ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/benchmark.c:8: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 73%] Linking C executable ../bin/benchmark [ 73%] Built target benchmark [ 74%] Building C object tools/mesh/CMakeFiles/similarity.dir/similarity.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:13: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:298:13: warning: ‘strncpy’ specified bound 1024 equals destination size [-Wstringop-truncation] 298 | strncpy(scalar1Path, tstr, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:305:13: warning: ‘strncpy’ specified bound 1024 equals destination size [-Wstringop-truncation] 305 | strncpy(scalar2Path, tstr, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:312:13: warning: ‘strncpy’ specified bound 1024 equals destination size [-Wstringop-truncation] 312 | strncpy(transformPath, tstr, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:322:13: warning: ‘strncpy’ specified bound 1024 equals destination size [-Wstringop-truncation] 322 | strncpy(mask1Path, tstr, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:329:13: warning: ‘strncpy’ specified bound 1024 equals destination size [-Wstringop-truncation] 329 | strncpy(mask2Path, tstr, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:441:14: warning: ‘format’ may be used uninitialized [-Wmaybe-uninitialized] 441 | if (!readGrid(&mask1, mask1Path, format)) { | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/similarity.c:270:18: note: ‘format’ was declared here 270 | Vdata_Format format; | ^~~~~~ [ 75%] Linking C executable ../bin/similarity [ 75%] Built target similarity [ 77%] Building C object tools/mesh/CMakeFiles/analysis.dir/analysis.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:14: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:123:13: warning: ‘strncpy’ specified bound 1024 equals destination size [-Wstringop-truncation] 123 | strncpy(scalarPath, tstr, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:133:13: warning: ‘strncpy’ specified bound 1024 equals destination size [-Wstringop-truncation] 133 | strncpy(maskPath, tstr, VMAX_ARGLEN); | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:286:5: warning: ‘maxG2’ may be used uninitialized [-Wmaybe-uninitialized] 286 | Vnm_print(1, "Max gradient-squared value = %1.12E\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 287 | maxG2); | ~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:29: note: ‘maxG2’ was declared here 85 | double maxS, maxSpt[3], maxG2, maxG2pt[3]; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:290:5: warning: ‘minG2’ may be used uninitialized [-Wmaybe-uninitialized] 290 | Vnm_print(1, "Min gradient-squared value = %1.12E\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 291 | minG2); | ~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:29: note: ‘minG2’ was declared here 86 | double minS, minSpt[3], minG2, minG2pt[3]; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:280:5: warning: ‘maxSpt[1]’ may be used uninitialized [-Wmaybe-uninitialized] 280 | Vnm_print(1, "Max scalar value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 281 | maxSpt[0], maxSpt[1], maxSpt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:18: note: ‘maxSpt[1]’ was declared here 85 | double maxS, maxSpt[3], maxG2, maxG2pt[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:280:5: warning: ‘maxSpt[2]’ may be used uninitialized [-Wmaybe-uninitialized] 280 | Vnm_print(1, "Max scalar value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 281 | maxSpt[0], maxSpt[1], maxSpt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:18: note: ‘maxSpt[2]’ was declared here 85 | double maxS, maxSpt[3], maxG2, maxG2pt[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:288:5: warning: ‘maxG2pt[0]’ may be used uninitialized [-Wmaybe-uninitialized] 288 | Vnm_print(1, "Max gradient-squared value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 289 | maxG2pt[0], maxG2pt[1], maxG2pt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:36: note: ‘maxG2pt[0]’ was declared here 85 | double maxS, maxSpt[3], maxG2, maxG2pt[3]; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:288:5: warning: ‘maxG2pt[1]’ may be used uninitialized [-Wmaybe-uninitialized] 288 | Vnm_print(1, "Max gradient-squared value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 289 | maxG2pt[0], maxG2pt[1], maxG2pt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:36: note: ‘maxG2pt[1]’ was declared here 85 | double maxS, maxSpt[3], maxG2, maxG2pt[3]; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:280:5: warning: ‘maxSpt[0]’ may be used uninitialized [-Wmaybe-uninitialized] 280 | Vnm_print(1, "Max scalar value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 281 | maxSpt[0], maxSpt[1], maxSpt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:18: note: ‘maxSpt[0]’ was declared here 85 | double maxS, maxSpt[3], maxG2, maxG2pt[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:288:5: warning: ‘maxG2pt[2]’ may be used uninitialized [-Wmaybe-uninitialized] 288 | Vnm_print(1, "Max gradient-squared value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 289 | maxG2pt[0], maxG2pt[1], maxG2pt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:85:36: note: ‘maxG2pt[2]’ was declared here 85 | double maxS, maxSpt[3], maxG2, maxG2pt[3]; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:284:5: warning: ‘minSpt[0]’ may be used uninitialized [-Wmaybe-uninitialized] 284 | Vnm_print(1, "Min scalar value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 285 | minSpt[0], minSpt[1], minSpt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:18: note: ‘minSpt[0]’ was declared here 86 | double minS, minSpt[3], minG2, minG2pt[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:284:5: warning: ‘minSpt[1]’ may be used uninitialized [-Wmaybe-uninitialized] 284 | Vnm_print(1, "Min scalar value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 285 | minSpt[0], minSpt[1], minSpt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:18: note: ‘minSpt[1]’ was declared here 86 | double minS, minSpt[3], minG2, minG2pt[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:284:5: warning: ‘minSpt[2]’ may be used uninitialized [-Wmaybe-uninitialized] 284 | Vnm_print(1, "Min scalar value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 285 | minSpt[0], minSpt[1], minSpt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:18: note: ‘minSpt[2]’ was declared here 86 | double minS, minSpt[3], minG2, minG2pt[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:292:5: warning: ‘minG2pt[0]’ may be used uninitialized [-Wmaybe-uninitialized] 292 | Vnm_print(1, "Min gradient-squared value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 293 | minG2pt[0], minG2pt[1], minG2pt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:36: note: ‘minG2pt[0]’ was declared here 86 | double minS, minSpt[3], minG2, minG2pt[3]; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:292:5: warning: ‘minG2pt[1]’ may be used uninitialized [-Wmaybe-uninitialized] 292 | Vnm_print(1, "Min gradient-squared value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 293 | minG2pt[0], minG2pt[1], minG2pt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:36: note: ‘minG2pt[1]’ was declared here 86 | double minS, minSpt[3], minG2, minG2pt[3]; | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:292:5: warning: ‘minG2pt[2]’ may be used uninitialized [-Wmaybe-uninitialized] 292 | Vnm_print(1, "Min gradient-squared value location = (%4.3f, %4.3f, %4.3f)\n", | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 293 | minG2pt[0], minG2pt[1], minG2pt[2]); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/analysis.c:86:36: note: ‘minG2pt[2]’ was declared here 86 | double minS, minSpt[3], minG2, minG2pt[3]; | ^~~~~~~ [ 78%] Linking C executable ../bin/analysis [ 78%] Built target analysis [ 79%] Building C object tools/mesh/CMakeFiles/dx2mol.dir/dx2mol.c.o /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2mol.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2mol.c:28:12: warning: unused variable ‘avg’ [-Wunused-variable] 28 | double avg; | ^~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2mol.c:19: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 80%] Linking C executable ../bin/dx2mol [ 80%] Built target dx2mol [ 81%] Building C object tools/mesh/CMakeFiles/dx2uhbd.dir/dx2uhbd.c.o /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:25:10: warning: unused variable ‘avg’ [-Wunused-variable] 25 | double avg; | ^~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:19: warning: unused variable ‘k’ [-Wunused-variable] 24 | size_t u, i, j, k, nx, ny, nz; | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:16: warning: unused variable ‘j’ [-Wunused-variable] 24 | size_t u, i, j, k, nx, ny, nz; | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:13: warning: unused variable ‘i’ [-Wunused-variable] 24 | size_t u, i, j, k, nx, ny, nz; | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:24:10: warning: unused variable ‘u’ [-Wunused-variable] 24 | size_t u, i, j, k, nx, ny, nz; | ^ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/dx2uhbd.c:17: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 82%] Linking C executable ../bin/dx2uhbd [ 82%] Built target dx2uhbd [ 83%] Building C object tools/mesh/CMakeFiles/del2dx.dir/del2dx.c.o /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:45:64: warning: variable ‘extent’ set but not used [-Wunused-but-set-variable] 45 | float val, xmax, scale, oldmid[3], temp, xdata, range, extent, origin[3], delta[3]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:45:50: warning: unused variable ‘xdata’ [-Wunused-variable] 45 | float val, xmax, scale, oldmid[3], temp, xdata, range, extent, origin[3], delta[3]; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:45:15: warning: unused variable ‘val’ [-Wunused-variable] 45 | float val, xmax, scale, oldmid[3], temp, xdata, range, extent, origin[3], delta[3]; | ^~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:16: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:76:9: warning: ignoring return value of ‘fread’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 76 | fread(&igrid, 1, sizeof(int), pfile); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:89:9: warning: ignoring return value of ‘fread’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 89 | fread(buffer, 1, sizeof(char) * 10, pfile); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:97:9: warning: ignoring return value of ‘fread’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 97 | fread(data, tot_grid, sizeof(float), pfile); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:103:9: warning: ignoring return value of ‘fread’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 103 | fread(&scale, 1, sizeof(float), pfile); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/del2dx.c:106:9: warning: ignoring return value of ‘fread’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 106 | fread(oldmid, 3, sizeof(float), pfile); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 85%] Linking C executable ../bin/del2dx [ 85%] Built target del2dx [ 86%] Building C object tools/mesh/CMakeFiles/tensor2dx.dir/tensor2dx.c.o /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:42:19: warning: unused variable ‘index’ [-Wunused-variable] 42 | int i,j,k,index,icol; | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:42:17: warning: unused variable ‘k’ [-Wunused-variable] 42 | int i,j,k,index,icol; | ^ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:42:15: warning: unused variable ‘j’ [-Wunused-variable] 42 | int i,j,k,index,icol; | ^ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:14: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:97:9: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 97 | fscanf(pfile1,"%lf %lf %lf",&origin_xyz[0],&origin_xyz[1],&origin_xyz[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:98:9: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 98 | fscanf(pfile1,"%lf %lf %lf",&gspace[0],&gspace[1],&gspace[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:137:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 137 | fscanf(pfile2,"%i %i %i",&itmp[0],&itmp[1],&itmp[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:138:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 138 | fscanf(pfile2,"%lf %lf %lf",&datapt[0],&tmp[1],&tmp[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:139:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 139 | fscanf(pfile2,"%lf %lf %lf",&tmp[0],&datapt[1],&tmp[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:140:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 140 | fscanf(pfile2,"%lf %lf %lf",&tmp[0],&tmp[1],&datapt[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:155:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 155 | fscanf(pfile2,"%i %i %i",&itmp[0],&itmp[1],&itmp[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:156:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 156 | fscanf(pfile2,"%lf %lf %lf",&datapt[0],&tmp[1],&tmp[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:157:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 157 | fscanf(pfile2,"%lf %lf %lf",&tmp[0],&datapt[1],&tmp[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/tensor2dx.c:158:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 158 | fscanf(pfile2,"%lf %lf %lf",&tmp[0],&tmp[1],&datapt[2]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 87%] Linking C executable ../bin/tensor2dx [ 87%] Built target tensor2dx [ 88%] Building C object tools/mesh/CMakeFiles/uhbd_asc2bin.dir/uhbd_asc2bin.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:93, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93, from /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:3: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:79:9: warning: unused variable ‘dz_grid’ [-Wunused-variable] 79 | int dz_##mat = dz | ^~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:24:5: note: in expansion of macro ‘MAT3’ 24 | MAT3(grid, MXGRD, MXGRD, MXGRD); | ^~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:30:5: warning: ignoring return value of ‘scanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 30 | scanf("%s", flnm); | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:42:5: warning: ignoring return value of ‘scanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 42 | scanf("%s", newfile); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:54:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 54 | fscanf(inFile, "%s", title); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:57:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 57 | fscanf(inFile, "%lf", &scale); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:60:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 60 | fscanf(inFile, "%lf", &dum2); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:63:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 63 | fscanf(inFile, "%d", &grdflg); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:66:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 66 | fscanf(inFile, "%d", &idum2); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:69:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 69 | fscanf(inFile, "%d", &km); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:72:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 72 | fscanf(inFile, "%d", &one); | ^~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:75:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 75 | fscanf(inFile, "%d", &km); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:78:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 78 | fscanf(inFile, "%d", &im); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:81:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 81 | fscanf(inFile, "%d", &jm); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:84:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 84 | fscanf(inFile, "%d", &km); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:87:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 87 | fscanf(inFile, "%lf", &h); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:90:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 90 | fscanf(inFile, "%lf", &ox); | ^~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:93:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 93 | fscanf(inFile, "%lf", &oy); | ^~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:96:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 96 | fscanf(inFile, "%lf", &oz); | ^~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:99:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 99 | fscanf(inFile, "%lf", &dum3); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:102:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 102 | fscanf(inFile, "%lf", &dum4); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:105:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 105 | fscanf(inFile, "%lf", &dum5); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:108:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 108 | fscanf(inFile, "%lf", &dum6); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:111:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 111 | fscanf(inFile, "%lf", &dum7); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:114:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 114 | fscanf(inFile, "%lf", &dum8); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:117:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 117 | fscanf(inFile, "%d", &idum3); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:120:5: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 120 | fscanf(inFile, "%d", &idum4); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:125:9: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 125 | fscanf(inFile, "%d", &kk); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:128:9: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 128 | fscanf(inFile, "%d", &im); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:131:9: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 131 | fscanf(inFile, "%d", &jm); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/tools/mesh/uhbd_asc2bin.c:138:17: warning: ignoring return value of ‘fscanf’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 138 | fscanf(inFile, "%lf", RAT3(grid, i, j, k)); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 89%] Linking C executable ../bin/uhbd_asc2bin [ 89%] Built target uhbd_asc2bin [ 90%] Building C object tools/manip/CMakeFiles/coulomb.dir/coulomb.c.o /builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c: In function ‘main’: /builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c:20:12: warning: unused variable ‘j’ [-Wunused-variable] 20 | int i, j; | ^ /builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c:18:34: warning: unused variable ‘disp’ [-Wunused-variable] 18 | double *pos, energy, zmagic, disp[3], force[3]; | ^~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/manip/coulomb.c:8: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 91%] Linking C executable ../bin/coulomb [ 91%] Built target coulomb [ 93%] Building C object tools/manip/CMakeFiles/born.dir/born.c.o In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/tools/manip/born.c:8: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 94%] Linking C executable ../bin/born [ 94%] Built target born [ 95%] Swig compile apbslib.i for python [ 95%] Built target apbslib_swig_compilation [ 96%] Building C object tools/python/CMakeFiles/_apbslib.dir/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c.o /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c: In function ‘getPotentials’: /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3573:12: warning: unused variable ‘rc’ [-Wunused-variable] 3573 | int i, rc, nx, ny, nz; | ^~ /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c: In function ‘getForces’: /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3627:31: warning: unused variable ‘npholder’ [-Wunused-variable] 3627 | PyObject *npvalues, *np, *npholder; | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3627:26: warning: unused variable ‘np’ [-Wunused-variable] 3627 | PyObject *npvalues, *np, *npholder; | ^~ /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3627:15: warning: unused variable ‘npvalues’ [-Wunused-variable] 3627 | PyObject *npvalues, *np, *npholder; | ^~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/src/routines.h:64, from /builddir/build/BUILD/apbs-3.0.0/build/tools/python/CMakeFiles/_apbslib.dir/apbslibPYTHON_wrap.c:3036: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ [ 97%] Linking C shared library ../../lib/_apbslib.so [ 97%] Built target _apbslib [ 98%] Building C object contrib/iapbs/src/CMakeFiles/iapbs.dir/apbs_driver.c.o /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:62:21: warning: argument 23 of type ‘double[1]’ with mismatched bound [-Warray-parameter=] 62 | double esenergy[1], | ~~~~~~~^~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:19: /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.h:173:30: note: previously declared as ‘double[20]’ 173 | double esEnergy[NOSH_MAXCALC], | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:63:21: warning: argument 24 of type ‘double[1]’ with mismatched bound [-Warray-parameter=] 63 | double npenergy[1], | ~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.h:174:30: note: previously declared as ‘double[20]’ 174 | double npEnergy[NOSH_MAXCALC], | ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function ‘apbsdrv_’: /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:283:5: warning: multi-line comment [-Wcomment] 283 | // Vnm_print(1,"\nError you must provide a parameter file if you\n" \ | ^ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:115:21: warning: unused variable ‘isolve’ [-Wunused-variable] 115 | int rank, size, isolve, debug, natom; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:103:11: warning: unused variable ‘gm’ [-Wunused-variable] 103 | void *gm[NOSH_MAXMOL]; | ^~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:102:11: warning: variable ‘fetk’ set but not used [-Wunused-but-set-variable] 102 | void *fetk[NOSH_MAXCALC]; | ^~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:90:14: warning: unused variable ‘feparm’ [-Wunused-variable] 90 | FEMparm *feparm = VNULL; | ^~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:77, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:70, from /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:11: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h: At top level: /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169:20: warning: ‘GEOFLOWparm_parseVDW’ declared ‘static’ but never defined [-Wunused-function] 169 | VPRIVATE Vrc_Codes GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171:20: warning: ‘GEOFLOWparm_parseETOL’ declared ‘static’ but never defined [-Wunused-function] 171 | VPRIVATE Vrc_Codes GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:78: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:251:20: warning: ‘PBAMparm_parseSalt’ declared ‘static’ but never defined [-Wunused-function] 251 | VPRIVATE Vrc_Codes PBAMparm_parseSalt(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:260:20: warning: ‘PBAMparm_parseRunType’ declared ‘static’ but never defined [-Wunused-function] 260 | VPRIVATE Vrc_Codes PBAMparm_parseRunType(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:269:20: warning: ‘PBAMparm_parseRunName’ declared ‘static’ but never defined [-Wunused-function] 269 | VPRIVATE Vrc_Codes PBAMparm_parseRunName(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:278:20: warning: ‘PBAMparm_parseRandorient’ declared ‘static’ but never defined [-Wunused-function] 278 | VPRIVATE Vrc_Codes PBAMparm_parseRandorient(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:287:20: warning: ‘PBAMparm_parsePBCS’ declared ‘static’ but never defined [-Wunused-function] 287 | VPRIVATE Vrc_Codes PBAMparm_parsePBCS(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:296:20: warning: ‘PBAMparm_parseUnits’ declared ‘static’ but never defined [-Wunused-function] 296 | VPRIVATE Vrc_Codes PBAMparm_parseUnits(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:305:20: warning: ‘PBAMparm_parse3Dmap’ declared ‘static’ but never defined [-Wunused-function] 305 | VPRIVATE Vrc_Codes PBAMparm_parse3Dmap(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:314:20: warning: ‘PBAMparm_parseGrid2D’ declared ‘static’ but never defined [-Wunused-function] 314 | VPRIVATE Vrc_Codes PBAMparm_parseGrid2D(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:323:20: warning: ‘PBAMparm_parseDX’ declared ‘static’ but never defined [-Wunused-function] 323 | VPRIVATE Vrc_Codes PBAMparm_parseDX(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:332:20: warning: ‘PBAMparm_parseGridPts’ declared ‘static’ but never defined [-Wunused-function] 332 | VPRIVATE Vrc_Codes PBAMparm_parseGridPts(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:341:20: warning: ‘PBAMparm_parseTermcombine’ declared ‘static’ but never defined [-Wunused-function] 341 | VPRIVATE Vrc_Codes PBAMparm_parseTermcombine(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:350:20: warning: ‘PBAMparm_parseDiff’ declared ‘static’ but never defined [-Wunused-function] 350 | VPRIVATE Vrc_Codes PBAMparm_parseDiff(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:359:20: warning: ‘PBAMparm_parseXYZ’ declared ‘static’ but never defined [-Wunused-function] 359 | VPRIVATE Vrc_Codes PBAMparm_parseXYZ(PBAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:79: /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:199:20: warning: ‘PBSAMparm_parseTolsp’ declared ‘static’ but never defined [-Wunused-function] 199 | VPRIVATE Vrc_Codes PBSAMparm_parseTolsp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:208:20: warning: ‘PBSAMparm_parseSurf’ declared ‘static’ but never defined [-Wunused-function] 208 | VPRIVATE Vrc_Codes PBSAMparm_parseSurf(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:217:20: warning: ‘PBSAMparm_parseImat’ declared ‘static’ but never defined [-Wunused-function] 217 | VPRIVATE Vrc_Codes PBSAMparm_parseImat(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:226:20: warning: ‘PBSAMparm_parseExp’ declared ‘static’ but never defined [-Wunused-function] 226 | VPRIVATE Vrc_Codes PBSAMparm_parseExp(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:235:20: warning: ‘PBSAMparm_parseMSMS’ declared ‘static’ but never defined [-Wunused-function] 235 | VPRIVATE Vrc_Codes PBSAMparm_parseMSMS(PBSAMparm *thee, Vio *sock); | ^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:93: /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:811:15: warning: ‘bcolcomp’ declared ‘static’ but never defined [-Wunused-function] 811 | VPRIVATE void bcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:834:15: warning: ‘bcolcomp2’ declared ‘static’ but never defined [-Wunused-function] 834 | VPRIVATE void bcolcomp2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:863:15: warning: ‘bcolcomp3’ declared ‘static’ but never defined [-Wunused-function] 863 | VPRIVATE void bcolcomp3( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:885:15: warning: ‘bcolcomp4’ declared ‘static’ but never defined [-Wunused-function] 885 | VPRIVATE void bcolcomp4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:910:15: warning: ‘pcolcomp’ declared ‘static’ but never defined [-Wunused-function] 910 | VPRIVATE void pcolcomp( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:933:17: warning: ‘bspline2’ declared ‘static’ but never defined [-Wunused-function] 933 | VPRIVATE double bspline2( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:942:17: warning: ‘dbspline2’ declared ‘static’ but never defined [-Wunused-function] 942 | VPRIVATE double dbspline2( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:951:17: warning: ‘VFCHI4’ declared ‘static’ but never defined [-Wunused-function] 951 | VPRIVATE double VFCHI4( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:961:17: warning: ‘bspline4’ declared ‘static’ but never defined [-Wunused-function] 961 | VPRIVATE double bspline4( | ^~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:970:17: warning: ‘dbspline4’ declared ‘static’ but never defined [-Wunused-function] 970 | VPRIVATE double dbspline4( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:979:17: warning: ‘d2bspline4’ declared ‘static’ but never defined [-Wunused-function] 979 | VPRIVATE double d2bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:988:17: warning: ‘d3bspline4’ declared ‘static’ but never defined [-Wunused-function] 988 | VPRIVATE double d3bspline4( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:998:17: warning: ‘Vpmg_polarizEnergy’ declared ‘static’ but never defined [-Wunused-function] 998 | VPRIVATE double Vpmg_polarizEnergy( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1009:17: warning: ‘Vpmg_qfEnergyPoint’ declared ‘static’ but never defined [-Wunused-function] 1009 | VPRIVATE double Vpmg_qfEnergyPoint( | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1020:17: warning: ‘Vpmg_qfEnergyVolume’ declared ‘static’ but never defined [-Wunused-function] 1020 | VPRIVATE double Vpmg_qfEnergyVolume( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1031:15: warning: ‘Vpmg_splineSelect’ declared ‘static’ but never defined [-Wunused-function] 1031 | VPRIVATE void Vpmg_splineSelect( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1047:15: warning: ‘focusFillBound’ declared ‘static’ but never defined [-Wunused-function] 1047 | VPRIVATE void focusFillBound( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1058:15: warning: ‘bcfl1’ declared ‘static’ but never defined [-Wunused-function] 1058 | VPRIVATE void bcfl1( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1080:15: warning: ‘bcfl2’ declared ‘static’ but never defined [-Wunused-function] 1080 | VPRIVATE void bcfl2( | ^~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1109:15: warning: ‘multipolebc’ declared ‘static’ but never defined [-Wunused-function] 1109 | VPRIVATE void multipolebc( | ^~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1126:17: warning: ‘bcfl1sp’ declared ‘static’ but never defined [-Wunused-function] 1126 | VPRIVATE double bcfl1sp( | ^~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1139:15: warning: ‘bcCalc’ declared ‘static’ but never defined [-Wunused-function] 1139 | VPRIVATE void bcCalc( | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1147:15: warning: ‘fillcoCoef’ declared ‘static’ but never defined [-Wunused-function] 1147 | VPRIVATE void fillcoCoef( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1155:15: warning: ‘fillcoCoefMap’ declared ‘static’ but never defined [-Wunused-function] 1155 | VPRIVATE void fillcoCoefMap( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1164:15: warning: ‘fillcoCoefMol’ declared ‘static’ but never defined [-Wunused-function] 1164 | VPRIVATE void fillcoCoefMol( | ^~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1173:15: warning: ‘fillcoCoefMolIon’ declared ‘static’ but never defined [-Wunused-function] 1173 | VPRIVATE void fillcoCoefMolIon( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1182:15: warning: ‘fillcoCoefMolDiel’ declared ‘static’ but never defined [-Wunused-function] 1182 | VPRIVATE void fillcoCoefMolDiel( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1191:15: warning: ‘fillcoCoefMolDielNoSmooth’ declared ‘static’ but never defined [-Wunused-function] 1191 | VPRIVATE void fillcoCoefMolDielNoSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1208:15: warning: ‘fillcoCoefMolDielSmooth’ declared ‘static’ but never defined [-Wunused-function] 1208 | VPRIVATE void fillcoCoefMolDielSmooth( | ^~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1217:15: warning: ‘fillcoCoefSpline’ declared ‘static’ but never defined [-Wunused-function] 1217 | VPRIVATE void fillcoCoefSpline( | ^~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1226:15: warning: ‘fillcoCoefSpline3’ declared ‘static’ but never defined [-Wunused-function] 1226 | VPRIVATE void fillcoCoefSpline3( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1235:15: warning: ‘fillcoCoefSpline4’ declared ‘static’ but never defined [-Wunused-function] 1235 | VPRIVATE void fillcoCoefSpline4( | ^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1244:20: warning: ‘fillcoCharge’ declared ‘static’ but never defined [-Wunused-function] 1244 | VPRIVATE Vrc_Codes fillcoCharge( | ^~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1253:20: warning: ‘fillcoChargeMap’ declared ‘static’ but never defined [-Wunused-function] 1253 | VPRIVATE Vrc_Codes fillcoChargeMap( | ^~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1261:15: warning: ‘fillcoChargeSpline1’ declared ‘static’ but never defined [-Wunused-function] 1261 | VPRIVATE void fillcoChargeSpline1( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1269:15: warning: ‘fillcoChargeSpline2’ declared ‘static’ but never defined [-Wunused-function] 1269 | VPRIVATE void fillcoChargeSpline2( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1277:15: warning: ‘fillcoPermanentMultipole’ declared ‘static’ but never defined [-Wunused-function] 1277 | VPRIVATE void fillcoPermanentMultipole( | ^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1285:15: warning: ‘fillcoInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1285 | VPRIVATE void fillcoInducedDipole( | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1294:15: warning: ‘fillcoNLInducedDipole’ declared ‘static’ but never defined [-Wunused-function] 1294 | VPRIVATE void fillcoNLInducedDipole( | ^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1304:15: warning: ‘extEnergy’ declared ‘static’ but never defined [-Wunused-function] 1304 | VPRIVATE void extEnergy( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1317:15: warning: ‘qfForceSpline1’ declared ‘static’ but never defined [-Wunused-function] 1317 | VPRIVATE void qfForceSpline1( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1327:15: warning: ‘qfForceSpline2’ declared ‘static’ but never defined [-Wunused-function] 1327 | VPRIVATE void qfForceSpline2( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1337:15: warning: ‘qfForceSpline4’ declared ‘static’ but never defined [-Wunused-function] 1337 | VPRIVATE void qfForceSpline4( | ^~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1351:15: warning: ‘zlapSolve’ declared ‘static’ but never defined [-Wunused-function] 1351 | VPRIVATE void zlapSolve( | ^~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1364:15: warning: ‘markSphere’ declared ‘static’ but never defined [-Wunused-function] 1364 | VPRIVATE void markSphere( | ^~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1384:17: warning: ‘Vpmg_qmEnergySMPBE’ declared ‘static’ but never defined [-Wunused-function] 1384 | VPRIVATE double Vpmg_qmEnergySMPBE(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385:17: warning: ‘Vpmg_qmEnergyNONLIN’ declared ‘static’ but never defined [-Wunused-function] 1385 | VPRIVATE double Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag); | ^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function ‘setupString’: /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:943:26: warning: ‘write pot dx iapbs-pot-’ directive writing 23 bytes into a region of size between 1 and 4096 [-Wformat-overflow=] 943 | sprintf(string, "%swrite pot dx iapbs-pot-%d\n", string, getpid()); | ^~~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:964, from /usr/include/maloc/maloc_base.h:80, from /usr/include/maloc/maloc.h:38, from /builddir/build/BUILD/apbs-3.0.0/src/apbs.h:67: In function ‘sprintf’, inlined from ‘setupString’ at /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:943:7: /usr/include/bits/stdio2.h:30:10: note: ‘__sprintf_chk’ output between 26 and 4131 bytes into a destination of size 4096 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 31 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /usr/include/bits/stdio2.h:30:10: warning: ‘__sprintf_chk’ argument 5 overlaps destination object ‘string.1’ [-Wrestrict] /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function ‘setupString’: /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:803:17: note: destination object referenced by ‘restrict’-qualified argument 1 was declared here 803 | static char string[MAX_BUF_SIZE]; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function ‘getElecEnergy’: /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:1060:29: warning: ‘scalar’ may be used uninitialized [-Wmaybe-uninitialized] 1060 | ltenergy += (scalar * Vunit_kb * (1e-3) * Vunit_Na * /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:1043:32: note: ‘scalar’ was declared here 1043 | double ltenergy, gtenergy, scalar; | ^~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c: In function ‘apbsdrv_’: /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:554:56: warning: ‘outputformat’ may be used uninitialized [-Wmaybe-uninitialized] 554 | if ((pbeparm->calcenergy == PCE_COMPS) && (outputformat != OUTPUT_NULL)){ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/src/apbs_driver.c:118:20: note: ‘outputformat’ was declared here 118 | Voutput_Format outputformat; | ^~~~~~~~~~~~ [100%] Linking C static library ../../../lib/libiapbs.a [100%] Built target iapbs make: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build' + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.TrrARh + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x '!=' / ']' + rm -rf /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x ++ dirname /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd apbs-3.0.0 + /usr/bin/make install DESTDIR=/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x 'INSTALL=/usr/bin/install -p' -C build make: Entering directory '/builddir/build/BUILD/apbs-3.0.0/build' [ 5%] Built target apbs_mg [ 26%] Built target apbs_generic [ 47%] Built target apbs_pmgc [ 48%] Built target apbs [ 49%] Built target apbs_routines [ 52%] Built target apbs-bin [ 54%] Generating documentation with Doxygen warning: Tag 'TCL_SUBST' at line 213 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'COLS_IN_ALPHA_INDEX' at line 857 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'HTML_TIMESTAMP' at line 953 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'FORMULA_TRANSPARENT' at line 1175 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'LATEX_SOURCE_CODE' at line 1313 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'PERL_PATH' at line 1565 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'CLASS_DIAGRAMS' at line 1577 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'MSCGEN_PATH' at line 1586 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTNAME' at line 1616 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTSIZE' at line 1621 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_TRANSPARENT' at line 1770 of file '/builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: tag INPUT: input source '/builddir/build/BUILD/apbs-3.0.0/doc/license/LICENSE.txt' does not exist warning: source '/builddir/build/BUILD/apbs-3.0.0/doc/license/LICENSE.txt' is not a readable file or directory... skipping. Doxygen version used: 1.9.8 Searching for include files... Searching for example files... Searching for images... Searching for dot files... Searching for msc files... Searching for dia files... Searching for files to exclude Searching INPUT for files to process... Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/pmgc Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/mg Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/generic Searching for files in directory /builddir/build/BUILD/apbs-3.0.0/src/fem Reading formula repository... Reading and parsing tag files Parsing files Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/apbs.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/apbs.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/fem/vcsm.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c... 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Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildBd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildGd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/buildPd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/cgd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/gsd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/matvecd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgcsd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgdrvd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgfasd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mgsubd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mikpckd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mlinpckd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/mypdec.h... Parsing file /builddir/build/builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.h:7: warning: the name 'beparm.h' supplied as the argument in the \file statement is not an input file /BUILD/apbs-3.0.0/src/pmgc/mypdec.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newdrvd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/newtond.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/powerd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/pmgc/smoothd.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/routines.c... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/routines.c... Preprocessing /builddir/build/BUILD/apbs-3.0.0/src/routines.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/src/routines.h... Preprocessing /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h... Parsing file /builddir/build/BUILD/apbs-3.0.0/build/doc/programmer/mainpage.h... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating images for formulas in HTML... Generating example documentation... Generating file sources... Generating code for file doc/programmer/mainpage.h... Generating code for file src/apbs.h... Generating code for file src/fem/vcsm.c... Generating code for file src/fem/vcsm.h... Generating code for file src/fem/vfetk.c... Generating code for file src/fem/vfetk.h... Generating code for file src/fem/vpee.c... Generating code for file src/fem/vpee.h... Generating code for file src/generic/apolparm.c... Generating code for file src/generic/apolparm.h... Generating code for file src/generic/bemparm.c... Generating code for file src/generic/bemparm.h... Generating code for file src/generic/femparm.c... Generating code for file src/generic/femparm.h... Generating code for file src/generic/geoflowparm.c... Generating code for file src/generic/geoflowparm.h... Generating code for file src/generic/mgparm.c... Generating code for file src/generic/mgparm.h... Generating code for file src/generic/nosh.c... Generating code for file src/generic/nosh.h... Generating code for file src/generic/pbamparm.c... Generating code for file src/generic/pbamparm.h... Generating code for file src/generic/pbeparm.c... Generating code for file src/generic/pbeparm.h... Generating code for file src/generic/pbsamparm.c... Generating code for file src/generic/pbsamparm.h... Generating code for file src/generic/vacc.c... Generating code for file src/generic/vacc.h... Generating code for file src/generic/valist.c... Generating code for file src/generic/valist.h... Generating code for file src/generic/vatom.c... Generating code for file src/generic/vatom.h... Generating code for file src/generic/vcap.c... Generating code for file src/generic/vcap.h... Generating code for file src/generic/vclist.c... Generating code for file src/generic/vclist.h... Generating code for file src/generic/vgreen.c... Generating code for file src/generic/vgreen.h... Generating code for file src/generic/vhal.h... Generating code for file src/generic/vmatrix.h... Generating code for file src/generic/vparam.c... Generating code for file src/generic/vparam.h... Generating code for file src/generic/vpbe.c... Generating code for file src/generic/vpbe.h... Generating code for file src/generic/vstring.c... Generating code for file src/generic/vstring.h... Generating code for file src/generic/vunit.h... Generating code for file src/main.c... Generating code for file src/mg/vgrid.c... Generating code for file src/mg/vgrid.h... Generating code for file src/mg/vmgrid.c... Generating code for file src/mg/vmgrid.h... Generating code for file src/mg/vopot.c... Generating code for file src/mg/vopot.h... Generating code for file src/mg/vpmg.c... Generating code for file src/mg/vpmg.h... Generating code for file src/mg/vpmgp.c... Generating code for file src/mg/vpmgp.h... Generating code for file src/pmgc/buildAd.c... Generating code for file src/pmgc/buildAd.h... Generating code for file src/pmgc/buildBd.c... Generating code for file src/pmgc/buildBd.h... Generating code for file src/pmgc/buildGd.c... Generating code for file src/pmgc/buildGd.h... Generating code for file src/pmgc/buildPd.c... Generating code for file src/pmgc/buildPd.h... Generating code for file src/pmgc/cgd.c... Generating code for file src/pmgc/cgd.h... Generating code for file src/pmgc/gsd.c... Generating code for file src/pmgc/gsd.h... Generating code for file src/pmgc/matvecd.c... Generating code for file src/pmgc/matvecd.h... Generating code for file src/pmgc/mgcsd.c... Generating code for file src/pmgc/mgcsd.h... Generating code for file src/pmgc/mgdrvd.c... Generating code for file src/pmgc/mgdrvd.h... Generating code for file src/pmgc/mgfasd.c... Generating code for file src/pmgc/mgfasd.h... Generating code for file src/pmgc/mgsubd.c... Generating code for file src/pmgc/mgsubd.h... Generating code for file src/pmgc/mikpckd.c... Generating code for file src/pmgc/mikpckd.h... Generating code for file src/pmgc/mlinpckd.c... Generating code for file src/pmgc/mlinpckd.h... Generating code for file src/pmgc/mypdec.c... Generating code for file src/pmgc/mypdec.h... Generating code for file src/pmgc/newdrvd.c... Generating code for file src/pmgc/newdrvd.h... Generating code for file src/pmgc/newtond.c... Generating code for file src/pmgc/newtond.h... Generating code for file src/pmgc/powerd.c... Generating code for file src/pmgc/powerd.h... Generating code for file src/pmgc/smoothd.c... Generating code for file src/pmgc/smoothd.h... Generating code for file src/routines.c... Generating code for file src/routines.h... Generating file documentation... Generating docs for file src/apbs.h... Generating docs for file src/fem/vcsm.c... Generating docs for file src/builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:2095: warning: Member polyEval(int numP, double p[], double c[][VMAXP], double xv[]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1528: warning: Member Vfetk_PDE_initElement(PDE *thee, int elementType, int chart, double tvx[][3], void *data) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1571: warning: Member Vfetk_PDE_initPoint(PDE *thee, int pointType, int chart, double txq[], double tU[], double tdU[][3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1741: warning: Member Vfetk_PDE_DFu_wv(PDE *thee, int key, double W[], double dW[][VAPBS_DIM], double V[], double dV[][3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1902: warning: Member Vfetk_PDE_bisectEdge(int dim, int dimII, int edgeType, int chart[], double vx[][3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1912: warning: Member Vfetk_PDE_mapBoundary(int dim, int dimII, int vertexType, int chart, double vx[3]) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1917: warning: Member Vfetk_PDE_markSimplex(int dim, int dimII, int simplexType, int faceType[VAPBS_NVS], int vertexType[VAPBS_NVS], int chart[], double vx[][3], void *simplex) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:1998: warning: Member Vfetk_PDE_oneChart(int dim, int dimII, int objType, int chart[], double vx[][3], int dimV) (function) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:86: warning: Member var (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:93: warning: Member diriCubeString (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:130: warning: Member neumCubeString (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:366: warning: Member dim_2DP1 (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:386: warning: Member lgr_2DP1[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:395: warning: Member lgr_2DP1x[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:402: warning: Member lgr_2DP1y[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:409: warning: Member lgr_2DP1z[3][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:437: warning: Member dim_3DP1 (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:438: warning: Member lgr_3DP1[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:446: warning: Member lgr_3DP1x[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:454: warning: Member lgr_3DP1y[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:462: warning: Member lgr_3DP1z[VAPBS_NVS][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:476: warning: Member P_DEG (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:482: warning: Member numP (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:483: warning: Member c[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:484: warning: Member cx[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:485: warning: Member cy[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.c:486: warning: Member cz[VMAXP][VMAXP] (variable) of file vfetk.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vfetk.h:207: warning: Member Vfetk (typedef) of file vfetk.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:498: warning: Member Vpee_userDefined(Vpee *thee, SS *sm) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:532: warning: Member Vpee_ourSimp(Vpee *thee, SS *sm, int rcol) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:66: warning: Member Aprx_estNonlinResid(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:72: warning: Member Aprx_estLocalProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.c:77: warning: Member Aprx_estDualProblem(Aprx *thee, SS *sm, Bvec *u, Bvec *ud, Bvec *f) (function) of file vpee.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:237: warning: Member APOLparm_parseGRID(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:268: warning: Member APOLparm_parseMOL(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:287: warning: Member APOLparm_parseSRFM(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:309: warning: Member APOLparm_parseSRAD(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:328: warning: Member APOLparm_parseSWIN(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:347: warning: Member APOLparm_parseTEMP(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:366: warning: Member APOLparm_parseGAMMA(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:385: warning: Member APOLparm_parseCALCENERGY(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:438: warning: Member APOLparm_parseCALCFORCE(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:491: warning: Member APOLparm_parseBCONC(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:510: warning: Member APOLparm_parseSDENS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:529: warning: Member APOLparm_parseDPOS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/apolparm.c:558: warning: Member APOLparm_parsePRESS(APOLparm *thee, Vio *sock) (function) of file apolparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:210: warning: Member BEMparm_parseTREE_ORDER(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:233: warning: Member BEMparm_parseTREE_N0(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:256: warning: Member BEMparm_parseMAC(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:279: warning: Member BEMparm_parseMESH(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/bemparm.c:308: warning: Member BEMparm_parseOUTDATA(BEMparm *thee, Vio *sock) (function) of file bemparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:196: warning: Member FEMparm_parseDOMAINLENGTH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:221: warning: Member FEMparm_parseETOL(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:244: warning: Member FEMparm_parseEKEY(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:276: warning: Member FEMparm_parseAKEYPRE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:303: warning: Member FEMparm_parseAKEYSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:333: warning: Member FEMparm_parseTARGETNUM(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:352: warning: Member FEMparm_parseTARGETRES(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:372: warning: Member FEMparm_parseMAXSOLVE(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:391: warning: Member FEMparm_parseMAXVERT(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.c:411: warning: Member FEMparm_parseUSEMESH(FEMparm *thee, Vio *sock) (function) of file femparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/femparm.h:182: warning: Member FEMparm (typedef) of file femparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:138: warning: Member FUBAR(const char *name) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:143: warning: Member parseNonNeg(double *tf, double def, int *set, char *name, Vio *sock) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:164: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.c:186: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:169: warning: Member GEOFLOWparm_parseVDW(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:171: warning: Member GEOFLOWparm_parseETOL(GEOFLOWparm *thee, Vio *sock) (function) of file geoflowparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:415: warning: Member MGparm_parseDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:446: warning: Member MGparm_parseCHGM(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:497: warning: Member MGparm_parseNLEV(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:516: warning: Member MGparm_parseETOL(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:539: warning: Member MGparm_parseGRID(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:570: warning: Member MGparm_parseGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:601: warning: Member MGparm_parseGAMMA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:616: warning: Member MGparm_parseGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:668: warning: Member MGparm_parseCGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:699: warning: Member MGparm_parseFGLEN(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:730: warning: Member MGparm_parseCGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:782: warning: Member MGparm_parseFGCENT(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:834: warning: Member MGparm_parsePDIME(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:872: warning: Member MGparm_parseOFRAC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:892: warning: Member MGparm_parseASYNC(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.c:912: warning: Member MGparm_parseUSEAQUA(MGparm *thee, Vio *sock) (function) of file mgparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/mgparm.h:203: warning: Member MGparm (typedef) of file mgparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:970: warning: Member NOsh_parseREAD(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1021: warning: Member NOsh_parsePRINT(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1187: warning: Member NOsh_parseELEC(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1313: warning: Member NOsh_parseAPOLAR(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2385: warning: Member NOsh_parseFEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1510: warning: Member NOsh_parseMG(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2845: warning: Member NOsh_parseBEM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2934: warning: Member NOsh_parseGEOFLOW(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3048: warning: Member NOsh_parsePBAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:3166: warning: Member NOsh_parsePBSAM(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2508: warning: Member NOsh_parseAPOL(NOsh *thee, Vio *sock, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1603: warning: Member NOsh_setupCalcMG(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1815: warning: Member NOsh_setupCalcMGAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1747: warning: Member NOsh_setupCalcMGMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2090: warning: Member NOsh_setupCalcMGPARA(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1722: warning: Member NOsh_setupCalcFEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2471: warning: Member NOsh_setupCalcFEMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1638: warning: Member NOsh_setupCalcBEM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1666: warning: Member NOsh_setupCalcGEOFLOW(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1686: warning: Member NOsh_setupCalcPBAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:1704: warning: Member NOsh_setupCalcPBSAM(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2612: warning: Member NOsh_setupCalcBEMMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2677: warning: Member NOsh_setupCalcGEOFLOWMANUAL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2735: warning: Member NOsh_setupCalcPBAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2786: warning: Member NOsh_setupCalcPBSAMAUTO(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:2581: warning: Member NOsh_setupCalcAPOL(NOsh *thee, NOsh_calc *elec) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:598: warning: Member NOsh_parseREAD_MOL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:675: warning: Member NOsh_parseREAD_PARM(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:739: warning: Member NOsh_parseREAD_DIEL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:793: warning: Member NOsh_parseREAD_KAPPA(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:839: warning: Member NOsh_parseREAD_POTENTIAL(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:884: warning: Member NOsh_parseREAD_CHARGE(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.c:930: warning: Member NOsh_parseREAD_MESH(NOsh *thee, Vio *sock) (function) of file nosh.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/nosh.h:188: warning: Member NOsh_calc (typedef) of file nosh.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:458: warning: Member PBAMparm_parseNtraj(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.c:549: warning: Member PBAMparm_parseTerm(PBAMparm *thee, Vio *sock) (function) of file pbamparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:77: warning: Member PBAMPARM_MAXWRITE (macro definition) of file pbamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:78: warning: Member PBAMPARM_MAXMOL (macro definition) of file pbamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:87: warning: Member PBEparm_getzmem(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:91: warning: Member PBEparm_getLmem(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:95: warning: Member PBEparm_getmembraneDiel(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:99: warning: Member PBEparm_getmemv(PBEparm *thee) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:368: warning: Member PBEparm_parseLPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:375: warning: Member PBEparm_parseNPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:382: warning: Member PBEparm_parseMOL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:401: warning: Member PBEparm_parseLRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:408: warning: Member PBEparm_parseNRPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:415: warning: Member PBEparm_parseSMPBE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:474: warning: Member PBEparm_parseBCFL(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:555: warning: Member PBEparm_parseION(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:652: warning: Member PBEparm_parsePDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:671: warning: Member PBEparm_parseSDENS(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:690: warning: Member PBEparm_parseSDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:709: warning: Member PBEparm_parseSRFM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:780: warning: Member PBEparm_parseSRAD(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:799: warning: Member PBEparm_parseSWIN(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:818: warning: Member PBEparm_parseTEMP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:837: warning: Member PBEparm_parseUSEMAP(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:895: warning: Member PBEparm_parseCALCENERGY(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:948: warning: Member PBEparm_parseCALCFORCE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1005: warning: Member PBEparm_parseZMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1025: warning: Member PBEparm_parseLMEM(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1044: warning: Member PBEparm_parseMDIE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1063: warning: Member PBEparm_parseMEMV(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1084: warning: Member PBEparm_parseWRITE(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.c:1178: warning: Member PBEparm_parseWRITEMAT(PBEparm *thee, Vio *sock) (function) of file pbeparm.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:77: warning: Member PBSAMPARM_MAXWRITE (macro definition) of file pbsamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:78: warning: Member PBSAMPARM_MAXMOL (macro definition) of file pbsamparm.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:277: warning: Member Vacc_vdwAcc(Vacc *thee, double center[3]) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:307: warning: Member Vacc_ivdwAcc(Vacc *thee, double center[3], double radius) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:679: warning: Member Vacc_writeGMV(Vacc *thee, double radius, int meth, Gem *gm, char *iodev, char *iofmt, char *iohost, char *iofile) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1252: warning: Member Vacc_SASAPos(Vacc *thee, double radius) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:1277: warning: Member Vacc_atomSASAPos(Vacc *thee, double radius, Vatom *atom, int mode) (function) of file vacc.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:76: warning: The following parameter of ivdwAccExclus(Vacc *thee, double center[3], double radius, int atomID) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/generic/vacc.c:490: warning: The following parameter of splineAcc(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, VclistCell *cell) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:186: warning: Member Valist_readPDBSerial(Valist *thee, Vio *sock, int *serial) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:206: warning: Member Valist_readPDBAtomName(Valist *thee, Vio *sock, char atomName[VMAX_ARGLEN]) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:224: warning: Member Valist_readPDBResidueName(Valist *thee, Vio *sock, char resName[VMAX_ARGLEN]) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:242: warning: Member Valist_readPDBResidueNumber(Valist *thee, Vio *sock, int *resSeq) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:298: warning: Member Valist_readPDBAtomCoord(Valist *thee, Vio *sock, double *coord) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:316: warning: Member Valist_readPDBChargeRadius(Valist *thee, Vio *sock, double *charge, double *radius) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:344: warning: Member Valist_readPDB_throughXYZ(Valist *thee, Vio *sock, int *serial, char atomName[VMAX_ARGLEN], char resName[VMAX_ARGLEN], int *resSeq, double *x, double *y, double *z) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:424: warning: Member Valist_getAtomStorage(Valist *thee, Vatom **plist, int *pnlist, int *pnatoms) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:480: warning: Member Valist_setAtomArray(Valist *thee, Vatom **plist, int nlist, int natoms) (function) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:60: warning: Member Valist_whiteChars (variable) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:61: warning: Member Valist_commChars (variable) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/valist.c:62: warning: Member Valist_xmlwhiteChars (variable) of file valist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:128: warning: Member VCLIST_INFLATE (macro definition) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:90: warning: Member Vclist_getMolDims(Vclist *thee, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM], double *r_max) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:125: warning: Member Vclist_setupGrid(Vclist *thee) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:174: warning: Member Vclist_storeParms(Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:231: warning: Member Vclist_gridSpan(Vclist *thee, Vatom *atom, int imin[VAPBS_DIM], int imax[VAPBS_DIM]) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:262: warning: Member Vclist_arrayIndex(Vclist *thee, int i, int j, int k) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.c:270: warning: Member Vclist_assignAtoms(Vclist *thee) (function) of file vclist.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vclist.h:94: warning: Member Vclist_DomainMode (typedef) of file vclist.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:425: warning: Member treesetup(Vgreen *thee) (function) of file vgreen.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:505: warning: Member treecleanup(Vgreen *thee) (function) of file vgreen.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vgreen.c:525: warning: Member treecalc(Vgreen *thee, double *xtar, double *ytar, double *ztar, double *qtar, int numtars, double *tpengtar, double *x, double *y, double *z, double *q, int numpars, double *fx, double *fy, double *fz, int iflag, int farrdim, int arrdim) (function) of file vgreen.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:458: warning: Member MAX_HASH_DIM (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:572: warning: Member OS_SEP_STR (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:573: warning: Member OS_SEP_CHAR (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:600: warning: Member ANNOUNCE_FUNCTION (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:601: warning: Member WARN_UNTESTED (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:602: warning: Member WARN_PARTTESTED (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:653: warning: Member VCHANNELEDMESSAGE0(channel, msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:658: warning: Member VCHANNELEDMESSAGE1(channel, msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:665: warning: Member VCHANNELEDMESSAGE2(channel, msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:672: warning: Member VCHANNELEDMESSAGE3(channel, msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:679: warning: Member VMESSAGE0(msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:680: warning: Member VMESSAGE1(msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:681: warning: Member VMESSAGE2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:682: warning: Member VMESSAGE3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:684: warning: Member VERRMSG0(msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:685: warning: Member VERRMSG1(msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:686: warning: Member VERRMSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:687: warning: Member VERRMSG3(msg, arg0, arg1, arg2) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:731: warning: Member VASSERT_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:741: warning: Member VASSERT_MSG1(cnd, msg, arg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:753: warning: Member VASSERT_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:825: warning: Member VWARN_MSG0(cnd, msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:838: warning: Member VWARN_MSG1(cnd, msg, arg0) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:853: warning: Member VWARN_MSG2(cnd, msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:899: warning: Member VABORT_MSG0(msg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:907: warning: Member VABORT_MSG1(msg, arg) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:917: warning: Member VABORT_MSG2(msg, arg0, arg1) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:944: warning: Member PRINT_INT(expr) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:945: warning: Member PRINT_DBL(expr) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:948: warning: Member VMALLOC(vmem, n, type) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:950: warning: Member VFREE(vmem, n, type, ptr) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:952: warning: Member VFILL(vec, n, val) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:959: warning: Member VCOPY(srcvec, dstvec, i, n) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:968: warning: Member VAT(array, i) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:969: warning: Member RAT(array, i) (macro definition) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:73: warning: Member Vrc_Codes (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:95: warning: Member Vsol_Meth (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:133: warning: Member Vsurf_Meth (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:244: warning: Member Vchrg_Meth (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:262: warning: Member Vchrg_Src (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:302: warning: Member Vdata_Type (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:323: warning: Member Vdata_Format (typedef) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vhal.h:966: warning: Member wrap_text(char *str, int right_margin, int left_padding) (function) of file vhal.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:64: warning: Member MAT2(mat, dx, dy) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:68: warning: Member RAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:71: warning: Member VAT2(mat, x, y) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:76: warning: Member MAT3(mat, dx, dy, dz) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:81: warning: Member RAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vmatrix.h:84: warning: Member VAT3(mat, x, y, z) (macro definition) of file vmatrix.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:127: warning: Member Vparam_ResData (typedef) of file vparam.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vparam.h:147: warning: Member Vparam (typedef) of file vparam.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/vpbe.c:62: warning: Member MAX_SPLINE_WINDOW (macro definition) of file vpbe.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:67: warning: Member IJK(i, j, k) (macro definition) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:77: warning: Member MCwhiteChars (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:78: warning: Member MCcommChars (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:79: warning: Member Vcompare (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vgrid.c:80: warning: Member Vprecision[26] (variable) of file vgrid.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vopot.c:113: warning: Member IJK(i, j, k) (macro definition) of file vopot.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:1401: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:2828: warning: Member bcCalcOrig(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3130: warning: Member gridPointIsValid(int i, int j, int k, int nx, int ny, int nz) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3313: warning: Member packAtoms(double *ax, double *ay, double *az, double *charge, double *size, Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3338: warning: Member packUnpack(int nx, int ny, int nz, int ngrid, double *gx, double *gy, double *gz, double *value, Vpmg *thee, int pack) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3407: warning: Member bcflnew(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3597: warning: Member bcfl_sdh(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3868: warning: Member bcfl_mdh(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:3995: warning: Member bcfl_mem(double zmem, double L, double eps_m, double eps_w, double V, double xkappa, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:4174: warning: Member bcfl_map(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:6684: warning: Member markFrac(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *xarray, double *yarray, double *zarray) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.c:10260: warning: Member fillcoPermanentInduced(Vpmg *thee) (function) of file vpmg.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1056: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented: parameter 'size' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1362: warning: argument 'hz' of command @param is not found in the argument list of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1362: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented: parameter 'rtot' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1107: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented: parameter 'r' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1315: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1325: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1335: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:995: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1006: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1017: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1029: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented: parameter 'srfm' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1348: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented: parameter 'thee' parameter 'solution' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:105: warning: Member VPMGMAXPART (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1392: warning: Member VCUB(x) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1393: warning: Member VLOG(x) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1395: warning: Member IJK(i, j, k) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1396: warning: Member IJKx(j, k, i) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1397: warning: Member IJKy(i, k, j) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1398: warning: Member IJKz(i, j, k) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1399: warning: Member VFCHI(iint, iflt) (macro definition) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1385: warning: Member Vpmg_qmEnergyNONLIN(Vpmg *thee, int extFlag) (function) of file vpmg.h is not documented. /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1056: warning: The following parameter of bcfl1(double size, double *apos, double charge, double xkappa, double pre1, double *gxcf, double *gycf, double *gzcf, double *xf, double *yf, double *zf, int nx, int ny, int nz) is not documented: parameter 'size' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1362: warning: The following parameter of markSphere(double rtot, double *tpos, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *array, double markVal) is not documented: parameter 'rtot' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1107: warning: The following parameter of multipolebc(double r, double kappa, double eps_p, double eps_w, double rad, double tsr[3]) is not documented: parameter 'r' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1315: warning: The following parameters of qfForceSpline1(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1325: warning: The following parameters of qfForceSpline2(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1335: warning: The following parameters of qfForceSpline4(Vpmg *thee, double *force, int atomID) are not documented: parameter 'thee' parameter 'force' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:995: warning: The following parameter of Vpmg_polarizEnergy(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1006: warning: The following parameter of Vpmg_qfEnergyPoint(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1017: warning: The following parameter of Vpmg_qfEnergyVolume(Vpmg *thee, int extFlag) is not documented: parameter 'thee' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1029: warning: The following parameter of Vpmg_splineSelect(int srfm, Vacc *acc, double *gpos, double win, double infrad, Vatom *atom, double *force) is not documented: parameter 'srfm' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmg.h:1348: warning: The following parameters of zlapSolve(Vpmg *thee, double **solution, double **source, double **work1) are not documented: parameter 'thee' parameter 'solution' /builddir/build/BUILD/apbs-3.0.0/src/mg/vpmgp.c:294: warning: Member coarsenThis(int nOld) (function) of file vpmgp.c is not documented. /builddir/build/BUILD/apbs-3.0.0/src/fem/vpee.h:17: warning: end of comment block while expecting command /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:247: warning: argument 'parm' of command @param is not found in the argument list of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock) /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:247: warning: The following parameter of PBAMparm_parseSalt(PBAMparm *thee, Vio *sock) is not documented: parameter 'sock' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:513: warning: The following parameter of energyAPOL(APOLparm *apolparm, double sasa, double sav, double atomsasa[], double atomwcaEnergy[], int numatoms) is not documented: parameter 'apolparm' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:610: warning: The following parameter of killFE(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vfetk *fetk[NOSH_MAXCALC], Gem *gem[NOSH_MAXMOL]) is not documented: parameter 'nosh' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:262: warning: The following parameter of killMG(NOsh *nosh, Vpbe *pbe[NOSH_MAXCALC], Vpmgp *pmgp[NOSH_MAXCALC], Vpmg *pmg[NOSH_MAXCALC]) is not documented: parameter 'nosh' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:882: warning: argument 'charge' of command @param is not found in the argument list of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) /builddir/build/BUILD/apbs-3.0.0/src/routines.c:882: warning: The following parameter of loadChargeMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented: parameter 'map' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:662: warning: argument 'kappa' of command @param is not found in the argument list of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) /builddir/build/BUILD/apbs-3.0.0/src/routines.c:662: warning: The following parameter of loadKappaMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented: parameter 'map' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:791: warning: argument 'pot' of command @param is not found in the argument list of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) /builddir/build/BUILD/apbs-3.0.0/src/routines.c:791: warning: The following parameter of loadPotMaps(NOsh *nosh, Vgrid *map[NOSH_MAXMOL]) is not documented: parameter 'map' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:622: warning: argument 'nosh' of command @param is not found in the argument list of preRefineFE(int i, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC]) /builddir/build/BUILD/apbs-3.0.0/src/routines.h:494: warning: The following parameter of printApolForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:445: warning: The following parameter of printElecEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:481: warning: The following parameter of printElecForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:432: warning: The following parameter of printEnergy(Vcom *com, NOsh *nosh, double totEnergy[NOSH_MAXCALC], int iprint) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.h:468: warning: The following parameter of printForce(Vcom *com, NOsh *nosh, int nforce[NOSH_MAXCALC], AtomForce *atomForce[NOSH_MAXCALC], int i) is not documented: parameter 'com' /builddir/build/BUILD/apbs-3.0.0/src/routines.c:4125: warning: argument 'i' of command @param is not found in the argument list of solveFE(int icalc, PBEparm *pbeparm, FEMparm *feparm, Vfetk *fetk[NOSH_MAXCALC]) /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:104: warning: Member vdw (variable) of struct sGEOFLOWparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/geoflowparm.h:105: warning: Member setvdw (variable) of struct sGEOFLOWparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:111: warning: Member salt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:112: warning: Member setsalt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:115: warning: Member runtype[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:116: warning: Member setruntype (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:119: warning: Member runname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:120: warning: Member setrunname (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:123: warning: Member setrandorient (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:126: warning: Member pbcboxlen (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:127: warning: Member setpbcs (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:130: warning: Member units[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:131: warning: Member setunits (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:137: warning: Member gridpt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:138: warning: Member setgridpt (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:141: warning: Member map3dname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:142: warning: Member set3dmap (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:145: warning: Member grid2Dname[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:146: warning: Member grid2Dax[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:147: warning: Member grid2Dloc[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:148: warning: Member grid2Dct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:149: warning: Member setgrid2Dname (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:152: warning: Member dxname[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:153: warning: Member setdxname (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:158: warning: Member ntraj (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:159: warning: Member setntraj (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:161: warning: Member termcombine[CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:162: warning: Member settermcombine (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:164: warning: Member diffct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:165: warning: Member moveType[PBAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:166: warning: Member transDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:167: warning: Member rotDiff[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:169: warning: Member termct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:170: warning: Member setterm (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:172: warning: Member termnam[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:173: warning: Member termnu[PBAMPARM_MAXWRITE][1] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:174: warning: Member termVal[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:175: warning: Member confil[PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:176: warning: Member conpad[PBAMPARM_MAXWRITE] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:177: warning: Member confilct (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:179: warning: Member setxyz (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:180: warning: Member xyzct[PBAMPARM_MAXMOL] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbamparm.h:181: warning: Member xyzfil[PBAMPARM_MAXMOL][PBAMPARM_MAXWRITE][CHR_MAXLEN] (variable) of struct sPBAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:202: warning: Member pbam_3dmapstem[VMAX_ARGLEN] (variable) of struct sPBEparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbeparm.h:203: warning: Member pbam_3dmapflag (variable) of struct sPBEparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:112: warning: Member settolsp (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:113: warning: Member tolsp (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:115: warning: Member setmsms (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:116: warning: Member probe_radius (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:117: warning: Member density (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:119: warning: Member setsurf (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:120: warning: Member surfct (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:121: warning: Member surffil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:123: warning: Member setimat (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:124: warning: Member imatct (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:125: warning: Member imatfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:127: warning: Member setexp (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:128: warning: Member expct (variable) of struct sPBSAMparm is not documented. /builddir/build/BUILD/apbs-3.0.0/src/generic/pbsamparm.h:129: warning: Member expfil[PBSAMPARM_MAXMOL][CHR_MAXLEN] (variable) of struct sPBSAMparm is not documented. /fem/vcsm.h... Generating docs for file src/fem/vfetk.c... Generating docs for file src/fem/vfetk.h... Generating docs for file src/fem/vpee.c... Generating docs for file src/fem/vpee.h... Generating docs for file src/generic/apolparm.c... Generating docs for file src/generic/bemparm.c... Generating docs for file src/generic/femparm.c... Generating docs for file src/generic/femparm.h... Generating docs for file src/generic/geoflowparm.c... Generating docs for file src/generic/geoflowparm.h... Generating docs for file src/generic/mgparm.c... Generating docs for file src/generic/mgparm.h... Generating docs for file src/generic/nosh.c... Generating docs for file src/generic/nosh.h... Generating docs for file src/generic/pbamparm.c... Generating docs for file src/generic/pbamparm.h... Generating docs for file src/generic/pbeparm.c... Generating docs for file src/generic/pbeparm.h... Generating docs for file src/generic/pbsamparm.c... Generating docs for file src/generic/pbsamparm.h... Generating docs for file src/generic/vacc.c... Generating docs for file src/generic/vacc.h... Generating docs for file src/generic/valist.c... Generating docs for file src/generic/valist.h... Generating docs for file src/generic/vatom.c... Generating docs for file src/generic/vatom.h... Generating docs for file src/generic/vcap.c... Generating docs for file src/generic/vcap.h... Generating docs for file src/generic/vclist.c... Generating docs for file src/generic/vclist.h... Generating docs for file src/generic/vgreen.c... Generating docs for file src/generic/vgreen.h... Generating docs for file src/generic/vhal.h... Generating docs for file src/generic/vmatrix.h... Generating docs for file src/generic/vparam.c... Generating docs for file src/generic/vparam.h... Generating docs for file src/generic/vpbe.c... Generating docs for file src/generic/vpbe.h... Generating docs for file src/generic/vstring.c... Generating docs for file src/generic/vstring.h... Generating docs for file src/generic/vunit.h... Generating docs for file src/main.c... Generating docs for file src/mg/vgrid.c... Generating docs for file src/mg/vgrid.h... Generating docs for file src/mg/vmgrid.c... Generating docs for file src/mg/vmgrid.h... Generating docs for file src/mg/vopot.c... Generating docs for file src/mg/vopot.h... Generating docs for file src/mg/vpmg.c... Generating docs for file src/mg/vpmg.h... Generating docs for file src/mg/vpmgp.c... Generating docs for file src/mg/vpmgp.h... Generating docs for file src/routines.c... Generating docs for file src/routines.h... Generating page documentation... Generating docs for page bug... Generating docs for page deprecated... Generating group documentation... Generating class documentation... Generating docs for compound AtomForce... Generating docs for compound sAPOLparm... Generating docs for compound sBEMparm... Generating docs for compound sFEMparm... Generating docs for compound sGEOFLOWparm... Generating docs for compound sMGparm... Generating docs for compound sNOsh... Generating docs for compound sNOsh_calc... Generating docs for compound sPBAMparm... Generating docs for compound sPBEparm... Generating docs for compound sPBSAMparm... Generating docs for compound sVacc... Generating docs for compound sVaccSurf... Generating docs for compound sValist... Generating docs for compound sVatom... Generating docs for compound sVclist... Generating docs for compound sVclistCell... Generating docs for compound sVcsm... Generating docs for compound sVfetk... Generating docs for compound sVfetk_LocalVar... Generating docs for compound sVgreen... Generating docs for compound sVgrid... Generating docs for compound sVmgrid... Generating docs for compound sVopot... Generating docs for compound sVparam_AtomData... Generating docs for compound sVpbe... Generating docs for compound sVpee... Generating docs for compound sVpmg... Generating docs for compound sVpmgp... Generating docs for compound Vparam... Generating docs for compound Vparam_ResData... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating graph info page... Generating directory documentation... Generating dependency graph for directory src/fem Generating dependency graph for directory src/generic Generating dependency graph for directory src/mg Generating dependency graph for directory src/pmgc Generating dependency graph for directory doc/programmer Generating dependency graph for directory src Generating index page... Generating main page... Generating page index... Generating topic index... Generating module index... Generating module member index... Generating namespace index... Generating namespace member index... Generating concept index... Generating annotated compound index... Generating alphabetical compound index... Generating hierarchical class index... Generating graphical class hierarchy... Generating member index... Generating file index... Generating file member index... Generating example index... finalizing index lists... writing tag file... Running plantuml with JAVA... Running dot... type lookup cache used 2284/65536 hits=42785 misses=2418 symbol lookup cache used 5514/65536 hits=45117 misses=5514 finished... 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Underfull \hbox (badness 10000) detected at line 637 [][][] [35] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 661 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.28 on input line 676. Underfull \hbox (badness 10000) detected at line 691 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.29 on input line 702. Underfull \hbox (badness 10000) detected at line 717 [][][] [36] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.30 on input line 736. Underfull \hbox (badness 10000) detected at line 751 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.31 on input line 764. Underfull \hbox (badness 10000) detected at line 779 [][][] [37] Underfull \hbox (badness 10000) detected at line 782 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.32 on input line 789. Underfull \hbox (badness 10000) detected at line 804 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 810 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.33 on input line 819. Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 837 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.34 on input line 844. [38] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 862 [][][] Underfull \hbox (badness 10000) detected at line 865 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.35 on input line 874. Underfull \hbox (badness 10000) detected at line 889 [][][] Underfull \hbox (badness 10000) detected at line 892 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.36 on input line 899. [39] Underfull \hbox (badness 10000) detected at line 914 [][][] Underfull \hbox (badness 10000) detected at line 917 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.37 on input line 924. Underfull \hbox (badness 10000) detected at line 939 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.38 on input line 948. Underfull \hbox (badness 10000) detected at line 959 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.39 on input line 974. Overfull \vbox (16.42432pt too high) has occurred while \output is active [40] Underfull \hbox (badness 10000) detected at line 989 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.40 on input line 999. Underfull \hbox (badness 10000) detected at line 1014 [][][] Underfull \hbox (badness 10000) detected at line 1017 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.41 on input line 1032. [41] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1046 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.42 on input line 1055. Underfull \hbox (badness 10000) detected at line 1070 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.43 on input line 1084. Underfull \hbox (badness 10000) detected at line 1099 [][][] [42] Package longtable Warning: Column widths have changed (longtable) in table 7.44 on input line 1118. Underfull \hbox (badness 10000) detected at line 1136 [][][] Underfull \hbox (badness 10000) detected at line 1139 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.45 on input line 1158. [43] Underfull \hbox (badness 10000) detected at line 1169 [][][] Underfull \hbox (badness 10000) detected at line 1172 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.46 on input line 1179. Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1197 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.47 on input line 1204. Underfull \hbox (badness 10000) detected at line 1222 [][][] [44] [45] Package longtable Warning: Column widths have changed (longtable) in table 7.48 on input line 1237. Underfull \hbox (badness 10000) detected at line 1255 [][][] Underfull \hbox (badness 10000) detected at line 1258 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.49 on input line 1273. Underfull \hbox (badness 10000) detected at line 1288 [][][] [46] Underfull \hbox (badness 10000) detected at line 1291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.50 on input line 1302. Underfull \hbox (badness 10000) detected at line 1317 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.51 on input line 1334. Underfull \hbox (badness 10000) detected at line 1345 [][][] [47] Package longtable Warning: Column widths have changed (longtable) in table 7.52 on input line 1360. Underfull \hbox (badness 10000) detected at line 1375 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.53 on input line 1396. Underfull \hbox (badness 10000) detected at line 1409 [][][] [48] Underfull \hbox (badness 10000) detected at line 1412 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.54 on input line 1423. Underfull \hbox (badness 10000) detected at line 1438 [][][] Underfull \hbox (badness 10000) detected at line 1441 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.55 on input line 1456. [49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.56 on input line 1493. Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.57 on input line 1524. [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.58 on input line 1554. [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.59 on input line 1640. [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.60 on input line 1674. Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Package longtable Warning: Column widths have changed (longtable) in table 7.61 on input line 1711. Underfull \hbox (badness 10000) detected at line 1735 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.62 on input line 1744. Underfull \hbox (badness 10000) detected at line 1745 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.63 on input line 1754. [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.64 on input line 1786. Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.65 on input line 1810. [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.66 on input line 1836. Underfull \hbox (badness 10000) detected at line 1851 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.67 on input line 1870. Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56] Package longtable Warning: Column widths have changed (longtable) in table 7.68 on input line 1895. ) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.69 on input line 93. [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.70 on input line 131. Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Package longtable Warning: Column widths have changed (longtable) in table 7.71 on input line 156. Underfull \hbox (badness 10000) detected at line 171 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.72 on input line 178. Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.73 on input line 226. [60] Underfull \hbox (badness 10000) detected at line 241 [][][] Underfull \hbox (badness 10000) detected at line 244 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.74 on input line 251. ) (./group___a_p_o_lparm.tex [61] [62] Package longtable Warning: Column widths have changed (longtable) in table 7.75 on input line 138. Package longtable Warning: Column widths have changed (longtable) in table 7.76 on input line 166. Package longtable Warning: Column widths have changed (longtable) in table 7.77 on input line 194. [63] Underfull \hbox (badness 10000) detected at line 212 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.78 on input line 219. Underfull \hbox (badness 10000) detected at line 220 [][][] Underfull \hbox (badness 10000) detected at line 237 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.79 on input line 246. Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] [64] Underfull \hbox (badness 10000) detected at line 281 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.80 on input line 288. Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.81 on input line 313. Underfull \hbox (badness 10000) detected at line 328 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.82 on input line 335. ) (./group___b_e_mparm.tex [65] [66] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.83 on input line 107. Underfull \hbox (badness 10000) detected at line 125 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.84 on input line 132. Underfull \hbox (badness 10000) detected at line 133 [][][] [67] Underfull \hbox (badness 10000) detected at line 150 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.85 on input line 157. Underfull \hbox (badness 10000) detected at line 158 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.86 on input line 184. Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.87 on input line 209. [68] Underfull \hbox (badness 10000) detected at line 224 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.88 on input line 231. Underfull \hbox (badness 10000) detected at line 246 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.89 on input line 257. Underfull \hbox (badness 10000) detected at line 258 [][][] ) (./group___f_e_mparm.tex [69] [70] Underfull \hbox (badness 10000) detected at line 111 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.90 on input line 140. Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.91 on input line 182. [71] Underfull \hbox (badness 10000) detected at line 197 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.92 on input line 213. Underfull \hbox (badness 10000) detected at line 231 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.93 on input line 238. Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.94 on input line 265. [72] Underfull \hbox (badness 10000) detected at line 280 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.95 on input line 287. Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 305 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.96 on input line 314. Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] [73] Package longtable Warning: Column widths have changed (longtable) in table 7.97 on input line 339. Underfull \hbox (badness 10000) detected at line 354 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.98 on input line 361. ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.99 on input line 106. Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.100 on input line 131. Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.101 on input line 158. Underfull \hbox (badness 10000) detected at line 173 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.102 on input line 180. Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.103 on input line 207. Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.104 on input line 232. Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Package longtable Warning: Column widths have changed (longtable) in table 7.105 on input line 254. Underfull \hbox (badness 10000) detected at line 269 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.106 on input line 280. Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] Package longtable Warning: Column widths have changed (longtable) in table 7.107 on input line 159. Package longtable Warning: Column widths have changed (longtable) in table 7.108 on input line 187. [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.109 on input line 216. Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.110 on input line 245. Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.111 on input line 270. Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.112 on input line 297. Underfull \hbox (badness 10000) detected at line 312 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.113 on input line 319. Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.114 on input line 346. Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.115 on input line 371. Underfull \hbox (badness 10000) detected at line 386 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.116 on input line 393. [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.117 on input line 415. Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.118 on input line 440. Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.119 on input line 465. [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.120 on input line 490. Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.121 on input line 515. Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Package longtable Warning: Column widths have changed (longtable) in table 7.122 on input line 540. Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.123 on input line 565. Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.124 on input line 590. Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.125 on input line 615. Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.126 on input line 644. Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.127 on input line 671. [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.128 on input line 695. Underfull \hbox (badness 10000) detected at line 710 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.129 on input line 719. ) (./group___n_osh.tex [88] [89] [90] [91] Package longtable Warning: Column widths have changed (longtable) in table 7.130 on input line 321. Package longtable Warning: Column widths have changed (longtable) in table 7.131 on input line 349. [92] Package longtable Warning: Column widths have changed (longtable) in table 7.132 on input line 373. Package longtable Warning: Column widths have changed (longtable) in table 7.133 on input line 413. Underfull \hbox (badness 10000) detected at line 431 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.134 on input line 440. Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.135 on input line 467. Underfull \hbox (badness 10000) detected at line 482 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.136 on input line 489. Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.137 on input line 514. [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.138 on input line 538. Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.139 on input line 567. Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.140 on input line 592. [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.141 on input line 614. Underfull \hbox (badness 10000) detected at line 629 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.142 on input line 638. Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.143 on input line 668. Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.144 on input line 698. Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.145 on input line 725. Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.146 on input line 752. Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.147 on input line 779. Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.148 on input line 806. Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.149 on input line 833. Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.150 on input line 860. [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.151 on input line 887. Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.152 on input line 914. Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.153 on input line 941. Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.154 on input line 968. Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.155 on input line 995. [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.156 on input line 1025. Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.157 on input line 1057. [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.158 on input line 1089. Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.159 on input line 1122. Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.160 on input line 1157. Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Package longtable Warning: Column widths have changed (longtable) in table 7.161 on input line 1190. Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.162 on input line 1223. Underfull \hbox (badness 10000) detected at line 1224 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.163 on input line 1233. [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.164 on input line 1260. Underfull \hbox (badness 10000) detected at line 1261 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.165 on input line 1270. ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.166 on input line 154. [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.167 on input line 179. Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.168 on input line 206. Underfull \hbox (badness 10000) detected at line 221 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.169 on input line 228. Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.170 on input line 255. Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.171 on input line 280. Underfull \hbox (badness 10000) detected at line 295 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.172 on input line 302. [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.173 on input line 326. Underfull \hbox (badness 10000) detected at line 341 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.174 on input line 350. Underfull \hbox (badness 10000) detected at line 365 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.175 on input line 374. [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.176 on input line 398. Underfull \hbox (badness 10000) detected at line 413 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.177 on input line 422. Underfull \hbox (badness 10000) detected at line 437 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.178 on input line 446. [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.179 on input line 470. Underfull \hbox (badness 10000) detected at line 485 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.180 on input line 494. Underfull \hbox (badness 10000) detected at line 509 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.181 on input line 518. [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.182 on input line 542. Underfull \hbox (badness 10000) detected at line 557 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.183 on input line 566. Underfull \hbox (badness 10000) detected at line 581 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.184 on input line 592. [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.185 on input line 619. Underfull \hbox (badness 10000) detected at line 634 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.186 on input line 643. ) (./group___p_b_eparm.tex [115] [116] Package longtable Warning: Column widths have changed (longtable) in table 7.187 on input line 163. Package longtable Warning: Column widths have changed (longtable) in table 7.188 on input line 191. [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.189 on input line 219. Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.190 on input line 243. Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.191 on input line 288. Underfull \hbox (badness 10000) detected at line 303 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.192 on input line 310. Underfull \hbox (badness 10000) detected at line 325 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.193 on input line 332. [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.194 on input line 359. Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.195 on input line 386. [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.196 on input line 413. Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.197 on input line 442. ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.198 on input line 138. Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Package longtable Warning: Column widths have changed (longtable) in table 7.199 on input line 163. Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.200 on input line 190. Underfull \hbox (badness 10000) detected at line 205 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.201 on input line 212. Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.202 on input line 239. Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.203 on input line 264. Underfull \hbox (badness 10000) detected at line 279 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.204 on input line 286. [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.205 on input line 310. Underfull \hbox (badness 10000) detected at line 325 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.206 on input line 334. Underfull \hbox (badness 10000) detected at line 349 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.207 on input line 358. [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.208 on input line 382. Underfull \hbox (badness 10000) detected at line 397 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.209 on input line 408. Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.210 on input line 435. ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.211 on input line 164. [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.212 on input line 192. Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.213 on input line 224. [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.214 on input line 253. Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.215 on input line 282. Underfull \hbox (badness 10000) detected at line 283 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.216 on input line 290. [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.217 on input line 319. Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.218 on input line 350. [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.219 on input line 372. Underfull \hbox (badness 10000) detected at line 387 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.220 on input line 394. Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Package longtable Warning: Column widths have changed (longtable) in table 7.221 on input line 430. Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.222 on input line 461. Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.223 on input line 482. [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.224 on input line 515. Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.225 on input line 545. [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.226 on input line 578. Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.227 on input line 613. Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.228 on input line 643. Underfull \hbox (badness 10000) detected at line 660 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.229 on input line 677. [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.230 on input line 709. Underfull \hbox (badness 10000) detected at line 724 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.231 on input line 741. Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.232 on input line 775. Underfull \hbox (badness 10000) detected at line 790 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.233 on input line 805. [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.234 on input line 837. Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.235 on input line 867. [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.236 on input line 901. Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.237 on input line 930. [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.238 on input line 957. Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.239 on input line 992. [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.240 on input line 1025. Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.241 on input line 1054. [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.242 on input line 1085. Underfull \hbox (badness 10000) detected at line 1100 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.243 on input line 1107. Underfull \hbox (badness 10000) detected at line 1122 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.244 on input line 1129. Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.245 on input line 1161. ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.246 on input line 121. Underfull \hbox (badness 10000) detected at line 136 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.247 on input line 143. Underfull \hbox (badness 10000) detected at line 158 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.248 on input line 165. [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.249 on input line 192. Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.250 on input line 217. Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.251 on input line 242. Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.252 on input line 267. Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.253 on input line 292. [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.254 on input line 317. Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.255 on input line 362. [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.256 on input line 394. Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.257 on input line 428. [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.258 on input line 462. ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.259 on input line 143. Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Package longtable Warning: Column widths have changed (longtable) in table 7.260 on input line 167. Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.261 on input line 209. Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.262 on input line 234. [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.263 on input line 256. Underfull \hbox (badness 10000) detected at line 271 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.264 on input line 278. Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.265 on input line 305. [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.266 on input line 327. Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.267 on input line 352. Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.268 on input line 377. [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.269 on input line 402. Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.270 on input line 427. Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Package longtable Warning: Column widths have changed (longtable) in table 7.271 on input line 454. Underfull \hbox (badness 10000) detected at line 469 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.272 on input line 476. Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.273 on input line 503. [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.274 on input line 527. Underfull \hbox (badness 10000) detected at line 542 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.275 on input line 551. Underfull \hbox (badness 10000) detected at line 566 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.276 on input line 575. [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.277 on input line 599. Underfull \hbox (badness 10000) detected at line 614 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.278 on input line 623. Underfull \hbox (badness 10000) detected at line 638 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.279 on input line 647. [162] Underfull \hbox (badness 10000) detected at line 662 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.280 on input line 671. ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.281 on input line 101. Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.282 on input line 134. Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.283 on input line 167. ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.284 on input line 122. Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Package longtable Warning: Column widths have changed (longtable) in table 7.285 on input line 160. Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.286 on input line 197. Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Package longtable Warning: Column widths have changed (longtable) in table 7.287 on input line 219. Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.288 on input line 241. Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.289 on input line 268. Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.290 on input line 293. Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.291 on input line 318. Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.292 on input line 343. [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.293 on input line 370. Underfull \hbox (badness 10000) detected at line 385 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.294 on input line 392. Underfull \hbox (badness 10000) detected at line 407 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.295 on input line 414. ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.296 on input line 158. Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.297 on input line 195. Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.298 on input line 238. Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.299 on input line 281. Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.300 on input line 306. Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.301 on input line 333. Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.302 on input line 358. [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.303 on input line 380. Underfull \hbox (badness 10000) detected at line 395 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.304 on input line 402. Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.305 on input line 448. Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.306 on input line 499. [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.307 on input line 524. Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.308 on input line 714. Underfull \hbox (badness 10000) detected at line 729 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.309 on input line 745. [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.310 on input line 780. Underfull \hbox (badness 10000) detected at line 795 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.311 on input line 827. Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! Package longtable Warning: Column widths have changed (longtable) in table 7.312 on input line 906. [188] Package longtable Warning: Column widths have changed (longtable) in table 7.313 on input line 934. Package longtable Warning: Column widths have changed (longtable) in table 7.314 on input line 980. [189] Package longtable Warning: Column widths have changed (longtable) in table 7.315 on input line 1004. Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.316 on input line 1035. Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190] Package longtable Warning: Column widths have changed (longtable) in table 7.317 on input line 1095. ) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.318 on input line 129. Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.319 on input line 156. Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.320 on input line 183. Underfull \hbox (badness 10000) detected at line 198 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.321 on input line 207. [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.322 on input line 249. Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.323 on input line 274. [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.324 on input line 296. Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.325 on input line 338. Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Package longtable Warning: Column widths have changed (longtable) in table 7.326 on input line 363. Underfull \hbox (badness 10000) detected at line 378 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.327 on input line 385. Underfull \hbox (badness 10000) detected at line 400 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.328 on input line 411. Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.329 on input line 444. Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.330 on input line 475. Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.331 on input line 508. Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.332 on input line 552. [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.333 on input line 579. Underfull \hbox (badness 10000) detected at line 594 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.334 on input line 601. Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.335 on input line 628. Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.336 on input line 653. Underfull \hbox (badness 10000) detected at line 668 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.337 on input line 675. [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.338 on input line 171. [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.339 on input line 232. Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.340 on input line 254. Underfull \hbox (badness 10000) detected at line 269 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.341 on input line 276. Underfull \hbox (badness 10000) detected at line 291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.342 on input line 298. Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.343 on input line 332. Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.344 on input line 357. Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.345 on input line 382. Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.346 on input line 411. Underfull \hbox (badness 10000) detected at line 412 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.347 on input line 435. [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.348 on input line 460. Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.349 on input line 485. Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Package longtable Warning: Column widths have changed (longtable) in table 7.350 on input line 510. Underfull \hbox (badness 10000) detected at line 525 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.351 on input line 532. Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.352 on input line 557. Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Package longtable Warning: Column widths have changed (longtable) in table 7.353 on input line 582. Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.354 on input line 607. Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.355 on input line 632. Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.356 on input line 657. Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.357 on input line 682. Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.358 on input line 707. Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.359 on input line 732. Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.360 on input line 757. Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Package longtable Warning: Column widths have changed (longtable) in table 7.361 on input line 782. Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.362 on input line 807. Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.363 on input line 832. Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.364 on input line 857. Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.365 on input line 882. Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.366 on input line 907. Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.367 on input line 932. Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.368 on input line 49. Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.369 on input line 79. Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.370 on input line 116. ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.371 on input line 150. Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.372 on input line 195. [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.373 on input line 228. Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.374 on input line 253. Underfull \hbox (badness 10000) detected at line 268 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.375 on input line 275. Underfull \hbox (badness 10000) detected at line 290 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.376 on input line 301. Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.377 on input line 326. Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.378 on input line 351. Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.379 on input line 376. Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.380 on input line 402. Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.381 on input line 427. Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Package longtable Warning: Column widths have changed (longtable) in table 7.382 on input line 452. Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.383 on input line 488. Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.384 on input line 527. Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.385 on input line 560. [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.386 on input line 582. Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.387 on input line 611. Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.388 on input line 648. Underfull \hbox (badness 10000) detected at line 663 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.389 on input line 682. [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.390 on input line 721. ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.391 on input line 114. Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.392 on input line 159. [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.393 on input line 192. Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.394 on input line 217. [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.395 on input line 239. Underfull \hbox (badness 10000) detected at line 254 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.396 on input line 263. Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.397 on input line 286. [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.398 on input line 311. Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.399 on input line 340. Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.400 on input line 88. Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.401 on input line 119. [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.402 on input line 152. Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.403 on input line 177. [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.404 on input line 199. Underfull \hbox (badness 10000) detected at line 214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.405 on input line 225. Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.406 on input line 254. Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.407 on input line 171. [246] Underfull \hbox (badness 10000) detected at line 186 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.408 on input line 219. [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.409 on input line 261. Underfull \hbox (badness 10000) detected at line 276 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.410 on input line 309. [248] Underfull \hbox (badness 10000) detected at line 324 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.411 on input line 347. [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Package longtable Warning: Column widths have changed (longtable) in table 7.412 on input line 401. Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.413 on input line 443. [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.414 on input line 473. Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.415 on input line 505. Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.416 on input line 535. Underfull \hbox (badness 10000) detected at line 546 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.417 on input line 561. [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.418 on input line 583. Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.419 on input line 619. [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.420 on input line 653. Underfull \hbox (badness 10000) detected at line 668 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.421 on input line 675. Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Package longtable Warning: Column widths have changed (longtable) in table 7.422 on input line 697. Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.423 on input line 727. Underfull \hbox (badness 10000) detected at line 742 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.424 on input line 753. [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.425 on input line 784. Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.426 on input line 841. Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Package longtable Warning: Column widths have changed (longtable) in table 7.427 on input line 879. Underfull \hbox (badness 10000) detected at line 894 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.428 on input line 909. Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.429 on input line 941. Underfull \hbox (badness 10000) detected at line 956 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.430 on input line 971. Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Package longtable Warning: Column widths have changed (longtable) in table 7.431 on input line 997. Underfull \hbox (badness 10000) detected at line 1008 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.432 on input line 1019. Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.433 on input line 1040. [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.434 on input line 1076. Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.435 on input line 1108. Underfull \hbox (badness 10000) detected at line 1123 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.436 on input line 1140. Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.437 on input line 1175. Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.438 on input line 1211. [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.439 on input line 1241. Underfull \hbox (badness 10000) detected at line 1252 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.440 on input line 1269. [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.441 on input line 1292. Underfull \hbox (badness 10000) detected at line 1303 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.442 on input line 1316. [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.443 on input line 1358. Underfull \hbox (badness 10000) detected at line 1373 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.444 on input line 1386. [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.445 on input line 1411. Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.446 on input line 1439. Underfull \hbox (badness 10000) detected at line 1454 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.447 on input line 1461. ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.448 on input line 85. Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.449 on input line 112. Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Package longtable Warning: Column widths have changed (longtable) in table 7.450 on input line 137. Underfull \hbox (badness 10000) detected at line 152 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.451 on input line 159. Underfull \hbox (badness 10000) detected at line 174 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.452 on input line 193. [271] Underfull \hbox (badness 10000) detected at line 208 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.453 on input line 215. ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.454 on input line 293. [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.455 on input line 324. Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.456 on input line 488. [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Package longtable Warning: Column widths have changed (longtable) in table 7.457 on input line 631. Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] Package longtable Warning: Column widths have changed (longtable) in table 7.458 on input line 704. [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.459 on input line 757. Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] Package longtable Warning: Column widths have changed (longtable) in table 7.460 on input line 892. [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] Package longtable Warning: Column widths have changed (longtable) in table 7.461 on input line 1035. [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] Package longtable Warning: Column widths have changed (longtable) in table 7.462 on input line 1214. [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] Package longtable Warning: Column widths have changed (longtable) in table 7.463 on input line 1367. [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.464 on input line 1431. [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] Package longtable Warning: Column widths have changed (longtable) in table 7.465 on input line 1567. [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Package longtable Warning: Column widths have changed (longtable) in table 7.466 on input line 1713. Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.467 on input line 1751. Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Package longtable Warning: Column widths have changed (longtable) in table 7.468 on input line 1788. Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.469 on input line 1825. [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.470 on input line 1862. Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] Package longtable Warning: Column widths have changed (longtable) in table 7.471 on input line 2016. [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.472 on input line 2053. Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.473 on input line 2188. Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.474 on input line 2227. Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.475 on input line 2266. [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.476 on input line 2297. [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.477 on input line 2486. [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.478 on input line 2680. [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.479 on input line 2729. [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.480 on input line 2888. [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.481 on input line 2929. Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.482 on input line 3029. [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.483 on input line 3170. [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.484 on input line 3325. [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.485 on input line 3416. [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.486 on input line 3525. [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.487 on input line 3568. [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.488 on input line 3772. [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.489 on input line 3873. [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.490 on input line 3955. Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.491 on input line 3984. [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.492 on input line 4017. [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.493 on input line 4177. [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.494 on input line 4273. Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.495 on input line 4366. [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.496 on input line 4409. Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.497 on input line 4454. [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.498 on input line 4515. [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.499 on input line 4679. [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.500 on input line 4710. Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Package longtable Warning: Column widths have changed (longtable) in table 7.501 on input line 4751. Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.502 on input line 4913. [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.503 on input line 4948. Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.504 on input line 5084. Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Package longtable Warning: Column widths have changed (longtable) in table 7.505 on input line 5120. Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.506 on input line 5153. Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.507 on input line 5186. Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.508 on input line 5217. Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.509 on input line 5248. Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.510 on input line 5281. ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.511 on input line 196. Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Package longtable Warning: Column widths have changed (longtable) in table 7.512 on input line 232. Underfull \hbox (badness 10000) detected at line 235 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.513 on input line 260. [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.514 on input line 296. Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.515 on input line 336. [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.516 on input line 372. Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] Package longtable Warning: Column widths have changed (longtable) in table 7.517 on input line 480. [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.518 on input line 557. [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.519 on input line 610. [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.520 on input line 634. Underfull \hbox (badness 10000) detected at line 649 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.521 on input line 662. Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.522 on input line 705. Underfull \hbox (badness 10000) detected at line 720 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.523 on input line 733. Underfull \hbox (badness 10000) detected at line 748 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.524 on input line 757. [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.525 on input line 781. Underfull \hbox (badness 10000) detected at line 792 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.526 on input line 803. Underfull \hbox (badness 10000) detected at line 818 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.527 on input line 827. [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.528 on input line 851. Underfull \hbox (badness 10000) detected at line 866 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.529 on input line 875. Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Package longtable Warning: Column widths have changed (longtable) in table 7.530 on input line 908. Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.531 on input line 938. Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Package longtable Warning: Column widths have changed (longtable) in table 7.532 on input line 970. Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.533 on input line 995. Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.534 on input line 1020. [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.535 on input line 1044. Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.536 on input line 1076. Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Package longtable Warning: Column widths have changed (longtable) in table 7.537 on input line 1104. Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.538 on input line 1133. Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.539 on input line 1151. [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.540 on input line 1179. Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.541 on input line 1213. [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.542 on input line 1244. Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.543 on input line 1273. [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.544 on input line 1304. Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.545 on input line 1333. [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.546 on input line 1362. Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.547 on input line 1393. Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Package longtable Warning: Column widths have changed (longtable) in table 7.548 on input line 1417. Underfull \hbox (badness 10000) detected at line 1432 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.549 on input line 1439. Underfull \hbox (badness 10000) detected at line 1454 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.550 on input line 1467. Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.551 on input line 1496. Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.552 on input line 1527. Underfull \hbox (badness 10000) detected at line 1528 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.553 on input line 1547. [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.554 on input line 1573. Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Package longtable Warning: Column widths have changed (longtable) in table 7.555 on input line 1621. Underfull \hbox (badness 10000) detected at line 1636 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.556 on input line 1649. Underfull \hbox (badness 10000) detected at line 1650 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.557 on input line 1673. [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.558 on input line 1715. Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.559 on input line 1746. [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.560 on input line 1791. Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.561 on input line 1822. Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 162 [][][] Underfull \hbox (badness 10000) detected at line 165 [][][] [507] Underfull \hbox (badness 10000) detected at line 168 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 187 [][][] [546] Underfull \hbox (badness 10000) detected at line 190 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [579] Underfull \hbox (badness 10000) detected at line 120 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.1 on input line 129. ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 169 [][][] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 100 [][][] [698] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] [741] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.2 on input line 192. Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [742] Package longtable Warning: Column widths have changed (longtable) in table 9.3 on input line 223. [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__incl.p df> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 127 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 53--55 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 81 [][][] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] Underfull \hbox (badness 10000) detected at line 76 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 45 [][][] Underfull \hbox (badness 10000) detected at line 48 [][][] [808] Underfull \hbox (badness 10000) detected at line 51 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 31--33 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 316--316 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 35 [][][] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] [860] Underfull \hbox (badness 10000) detected at line 83 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [876] Underfull \hbox (badness 10000) detected at line 95 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 41. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 27 [][][] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 83 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] [913] Underfull \hbox (badness 10000) detected at line 168 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.4 on input line 187. [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 91 [][][] [941] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] [942] Underfull \hbox (badness 10000) detected at line 163 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.5 on input line 182. ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 58--58 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 63 [][][] Underfull \hbox (badness 10000) detected at line 66 [][][] Underfull \hbox (badness 10000) detected at line 69 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] [966] Underfull \hbox (badness 10000) detected at line 260 [][][] [967] Underfull \hbox (badness 10000) detected at line 287 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.6 on input line 318. [968] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.7 on input line 393. Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.8 on input line 418. [969] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 436 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.9 on input line 443. Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.10 on input line 468. Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] [970] Package longtable Warning: Column widths have changed (longtable) in table 9.11 on input line 493. Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 511 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.12 on input line 518. Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] [971] Underfull \hbox (badness 10000) detected at line 573 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 624 [][][] Underfull \hbox (badness 10000) detected at line 641 [][][] [972] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 696 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] [973] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 794 [][][] [974] Underfull \hbox (badness 10000) detected at line 831 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.13 on input line 860. [975] Underfull \hbox (badness 10000) detected at line 875 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.14 on input line 890. [976] Underfull \hbox (badness 10000) detected at line 925 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.15 on input line 932. Underfull \hbox (badness 10000) detected at line 947 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.16 on input line 954. [977] Underfull \hbox (badness 10000) detected at line 969 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.17 on input line 976. Underfull \hbox (badness 10000) detected at line 991 [][][] Underfull \hbox (badness 10000) detected at line 994 [][][] Underfull \hbox (badness 10000) detected at line 1011 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.18 on input line 1021. [978] Underfull \hbox (badness 10000) detected at line 1036 [][][] Underfull \hbox (badness 10000) detected at line 1039 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.19 on input line 1046. Underfull \hbox (badness 10000) detected at line 1061 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.20 on input line 1071. Underfull \hbox (badness 10000) detected at line 1096 [][][] [979] Underfull \hbox (badness 10000) detected at line 1113 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.21 on input line 1130. Underfull \hbox (badness 10000) detected at line 1145 [][][] Underfull \hbox (badness 10000) detected at line 1148 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.22 on input line 1157. ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 233 [][][] Underfull \hbox (badness 10000) detected at line 236 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.23 on input line 452. [1125] Underfull \hbox (badness 10000) detected at line 467 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.24 on input line 477. Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.25 on input line 502. [1126] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 520 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.26 on input line 527. Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 545 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.27 on input line 552. Underfull \hbox (badness 10000) detected at line 567 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] [1127] Package longtable Warning: Column widths have changed (longtable) in table 9.28 on input line 577. Underfull \hbox (badness 10000) detected at line 592 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.29 on input line 602. Underfull \hbox (badness 10000) detected at line 617 [][][] Underfull \hbox (badness 10000) detected at line 620 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] Underfull \hbox (badness 10000) detected at line 640 [][][] [1128] Underfull \hbox (badness 10000) detected at line 657 [][][] Underfull \hbox (badness 10000) detected at line 674 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] [1129] Underfull \hbox (badness 10000) detected at line 742 [][][] Underfull \hbox (badness 10000) detected at line 759 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] [1130] Underfull \hbox (badness 10000) detected at line 817 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] Underfull \hbox (badness 10000) detected at line 868 [][][] Underfull \hbox (badness 10000) detected at line 881 [][][] [1131] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 911 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.30 on input line 940. [1132] Underfull \hbox (badness 10000) detected at line 955 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.31 on input line 970. Underfull \hbox (badness 10000) detected at line 985 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.32 on input line 992. [1133] Underfull \hbox (badness 10000) detected at line 1007 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.33 on input line 1014. Underfull \hbox (badness 10000) detected at line 1029 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.34 on input line 1036. Underfull \hbox (badness 10000) detected at line 1051 [][][] Underfull \hbox (badness 10000) detected at line 1054 [][][] Underfull \hbox (badness 10000) detected at line 1071 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1074 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.35 on input line 1081. Underfull \hbox (badness 10000) detected at line 1096 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.36 on input line 1106. Underfull \hbox (badness 10000) detected at line 1121 [][][] Underfull \hbox (badness 10000) detected at line 1124 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.37 on input line 1131. [1135] Underfull \hbox (badness 10000) detected at line 1156 [][][] Underfull \hbox (badness 10000) detected at line 1173 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.38 on input line 1190. [1136] Underfull \hbox (badness 10000) detected at line 1205 [][][] Underfull \hbox (badness 10000) detected at line 1208 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.39 on input line 1217. ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217] [1218] [1219] [1220] [1221] [1222] [1223]) (./build_pd_8h_source.tex [1224] [1225] [1226]) (./cgd_8c_source.tex) (./cgd_8h_source.tex [1227]) (./gsd_8c_source.tex [1228] [1229] [1230] [1231]) (./gsd_8h_source.tex [1232]) (./matvecd_8c_source.tex [1233] [1234] [1235] [1236] [1237] [1238] [1239] [1240] [1241] [1242] [1243] [1244] [1245]) (./matvecd_8h_source.tex [1246] [1247] [1248] [1249] [1250] [1251]) (./mgcsd_8c_source.tex [1252] [1253] [1254] [1255] [1256] [1257]) (./mgcsd_8h_source.tex [1258]) (./mgdrvd_8c_source.tex [1259] [1260] [1261] [1262] [1263] [1264] [1265]) (./mgdrvd_8h_source.tex [1266] [1267]) (./mgfasd_8c_source.tex [1268] [1269] [1270] [1271] [1272] [1273]) (./mgfasd_8h_source.tex [1274] [1275]) (./mgsubd_8c_source.tex [1276] [1277] [1278] [1279] [1280] [1281] [1282] [1283] [1284] [1285] [1286]) (./mgsubd_8h_source.tex [1287] [1288] [1289] [1290]) (./mikpckd_8c_source.tex [1291] [1292] [1293] [1294]) (./mikpckd_8h_source.tex [1295] [1296] [1297]) (./mlinpckd_8c_source.tex [1298] [1299]) (./mlinpckd_8h_source.tex) (./mypdec_8c_source.tex [1300] [1301] [1302] [1303] [1304] [1305] [1306]) (./mypdec_8h_source.tex [1307]) (./newdrvd_8c_source.tex [1308] [1309] [1310] [1311]) (./newdrvd_8h_source.tex [1312]) (./newtond_8c_source.tex [1313] [1314] [1315] [1316] [1317] [1318] [1319]) (./newtond_8h_source.tex [1320]) (./powerd_8c_source.tex [1321] [1322] [1323] [1324] [1325]) (./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 47--48 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 61--62 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy /m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 5817) in paragraph at lines 67--68 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 69--70 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1330] Underfull \hbox (badness 1442) in paragraph at lines 81--82 []\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/ m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 931) in paragraph at lines 87--88 []\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T 1/phv/m/n/10 fetk[][][], Gem Underfull \hbox (badness 2495) in paragraph at lines 89--90 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] [1331] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] Underfull \hbox (badness 10000) detected at line 122 [][][] ) (./routines_8c_source.tex [1332] [1333] [1334] [1335] [1336] [1337] [1338] [1339] [1340] [1341] [1342] [1343] [1344] [1345] [1346] [1347] [1348] [1349] [1350] [1351] [1352] [1353] [1354] [1355] [1356] [1357] [1358] [1359] [1360] [1361] [1362] [1363] [1364] [1365] [1366] [1367] [1368] [1369] [1370] [1371] [1372] [1373] [1374] [1375] [1376] [1377] [1378] [1379] [1380] [1381] [1382] [1383] [1384] [1385] [1386] [1387] [1388] [1389] [1390] [1391] [1392] [1393] [1394] [1395] [1396] [1397] [1398] [1399] [1400]) (./routines_8h.tex <./routine s_8h__incl.pdf> <./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 50--51 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 70--71 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 70--71 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 88--89 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 122--123 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] No file refman.ind. 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line 1099 [][][] [42] Underfull \hbox (badness 10000) detected at line 1136 [][][] Underfull \hbox (badness 10000) detected at line 1139 [][][] [43] Underfull \hbox (badness 10000) detected at line 1169 [][][] Underfull \hbox (badness 10000) detected at line 1172 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1197 [][][] Underfull \hbox (badness 10000) detected at line 1222 [][][] [44] [45] Underfull \hbox (badness 10000) detected at line 1255 [][][] Underfull \hbox (badness 10000) detected at line 1258 [][][] Underfull \hbox (badness 10000) detected at line 1288 [][][] [46] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1317 [][][] Underfull \hbox (badness 10000) detected at line 1345 [][][] [47] Underfull \hbox (badness 10000) detected at line 1375 [][][] Underfull \hbox (badness 10000) detected at line 1409 [][][] [48] Underfull \hbox (badness 10000) detected at line 1412 [][][] Underfull \hbox (badness 10000) detected at line 1438 [][][] Underfull \hbox (badness 10000) detected at line 1441 [][][] [49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Underfull \hbox (badness 10000) detected at line 1735 [][][] Underfull \hbox (badness 10000) detected at line 1745 [][][] [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Underfull \hbox (badness 10000) detected at line 1851 [][][] Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56]) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] [60] Underfull \hbox (badness 10000) detected at line 241 [][][] Underfull \hbox (badness 10000) detected at line 244 [][][] ) (./group___a_p_o_lparm.tex [61] [62] [63] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 220 [][][] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] [64] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] ) (./group___b_e_mparm.tex [65] [66] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 133 [][][] [67] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] [68] Underfull \hbox (badness 10000) detected at line 224 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] ) (./group___f_e_mparm.tex [69] [70] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [71] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 231 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] [72] Underfull \hbox (badness 10000) detected at line 280 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] [73] Underfull \hbox (badness 10000) detected at line 354 [][][] ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Underfull \hbox (badness 10000) detected at line 173 [][][] Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] ) (./group___n_osh.tex [88] [89] [90] [91] [92] Underfull \hbox (badness 10000) detected at line 431 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 482 [][][] Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Underfull \hbox (badness 10000) detected at line 1224 [][][] [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Underfull \hbox (badness 10000) detected at line 1261 [][][] ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 221 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Underfull \hbox (badness 10000) detected at line 295 [][][] [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 365 [][][] [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Underfull \hbox (badness 10000) detected at line 413 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 485 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] Underfull \hbox (badness 10000) detected at line 581 [][][] [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Underfull \hbox (badness 10000) detected at line 634 [][][] ) (./group___p_b_eparm.tex [115] [116] [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 349 [][][] [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 397 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Underfull \hbox (badness 10000) detected at line 660 [][][] [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Underfull \hbox (badness 10000) detected at line 724 [][][] Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 790 [][][] [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Underfull \hbox (badness 10000) detected at line 1100 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 136 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 614 [][][] Underfull \hbox (badness 10000) detected at line 638 [][][] [162] Underfull \hbox (badness 10000) detected at line 662 [][][] ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Underfull \hbox (badness 10000) detected at line 385 [][][] Underfull \hbox (badness 10000) detected at line 407 [][][] ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Underfull \hbox (badness 10000) detected at line 729 [][][] [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! [188] [189] Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190]) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 400 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 291 [][][] Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 290 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 663 [][][] [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Underfull \hbox (badness 10000) detected at line 254 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 214 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] [246] Underfull \hbox (badness 10000) detected at line 186 [][][] [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.409 on input line 261. Underfull \hbox (badness 10000) detected at line 276 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.410 on input line 309. [248] Underfull \hbox (badness 10000) detected at line 324 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.411 on input line 347. [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 546 [][][] [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Underfull \hbox (badness 10000) detected at line 742 [][][] [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Underfull \hbox (badness 10000) detected at line 956 [][][] Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Underfull \hbox (badness 10000) detected at line 1008 [][][] Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Underfull \hbox (badness 10000) detected at line 1252 [][][] [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Underfull \hbox (badness 10000) detected at line 1303 [][][] [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Underfull \hbox (badness 10000) detected at line 1373 [][][] [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] [271] Underfull \hbox (badness 10000) detected at line 208 [][][] ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.456 on input line 488. [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] Package longtable Warning: Column widths have changed (longtable) in table 7.460 on input line 892. [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] Package longtable Warning: Column widths have changed (longtable) in table 7.461 on input line 1035. [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] Package longtable Warning: Column widths have changed (longtable) in table 7.462 on input line 1214. [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] Package longtable Warning: Column widths have changed (longtable) in table 7.463 on input line 1367. [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.464 on input line 1431. [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] Package longtable Warning: Column widths have changed (longtable) in table 7.465 on input line 1567. [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Package longtable Warning: Column widths have changed (longtable) in table 7.466 on input line 1713. Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] Package longtable Warning: Column widths have changed (longtable) in table 7.471 on input line 2016. [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.475 on input line 2266. [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.477 on input line 2486. [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.478 on input line 2680. [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.479 on input line 2729. [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.480 on input line 2888. [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.482 on input line 3029. [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.484 on input line 3325. [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.485 on input line 3416. [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.486 on input line 3525. [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.488 on input line 3772. [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.489 on input line 3873. [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.493 on input line 4177. [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.494 on input line 4273. Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.495 on input line 4366. [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.498 on input line 4515. [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.499 on input line 4679. [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] Package longtable Warning: Column widths have changed (longtable) in table 7.502 on input line 4913. [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Underfull \hbox (badness 10000) detected at line 235 [][][] [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 748 [][][] [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 792 [][][] Underfull \hbox (badness 10000) detected at line 818 [][][] [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Underfull \hbox (badness 10000) detected at line 866 [][][] Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Underfull \hbox (badness 10000) detected at line 1528 [][][] [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Underfull \hbox (badness 10000) detected at line 1636 [][][] Underfull \hbox (badness 10000) detected at line 1650 [][][] [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 162 [][][] Underfull \hbox (badness 10000) detected at line 165 [][][] [507] Underfull \hbox (badness 10000) detected at line 168 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 187 [][][] [546] Underfull \hbox (badness 10000) detected at line 190 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [579] Underfull \hbox (badness 10000) detected at line 120 [][][] ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 169 [][][] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 100 [][][] [698] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] [741] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [742] [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__ incl.pdf> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 127 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 53--55 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 81 [][][] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] Underfull \hbox (badness 10000) detected at line 76 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 45 [][][] Underfull \hbox (badness 10000) detected at line 48 [][][] [808] Underfull \hbox (badness 10000) detected at line 51 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 31--33 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 316--316 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 35 [][][] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] [860] Underfull \hbox (badness 10000) detected at line 83 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [876] Underfull \hbox (badness 10000) detected at line 95 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 41. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 27 [][][] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 83 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] [913] Underfull \hbox (badness 10000) detected at line 168 [][][] [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 91 [][][] [941] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] [942] Underfull \hbox (badness 10000) detected at line 163 [][][] ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 58--58 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 63 [][][] Underfull \hbox (badness 10000) detected at line 66 [][][] Underfull \hbox (badness 10000) detected at line 69 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] [966] Underfull \hbox (badness 10000) detected at line 260 [][][] [967] Underfull \hbox (badness 10000) detected at line 287 [][][] [968] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.7 on input line 393. Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.8 on input line 418. [969] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 436 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.9 on input line 443. Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.10 on input line 468. Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] [970] Package longtable Warning: Column widths have changed (longtable) in table 9.11 on input line 493. Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 511 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.12 on input line 518. Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] [971] Underfull \hbox (badness 10000) detected at line 573 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 624 [][][] Underfull \hbox (badness 10000) detected at line 641 [][][] [972] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 696 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] [973] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 794 [][][] [974] Underfull \hbox (badness 10000) detected at line 831 [][][] [975] Underfull \hbox (badness 10000) detected at line 875 [][][] [976] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 947 [][][] [977] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 991 [][][] Underfull \hbox (badness 10000) detected at line 994 [][][] Underfull \hbox (badness 10000) detected at line 1011 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] [978] Underfull \hbox (badness 10000) detected at line 1036 [][][] Underfull \hbox (badness 10000) detected at line 1039 [][][] Underfull \hbox (badness 10000) detected at line 1061 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [979] Underfull \hbox (badness 10000) detected at line 1113 [][][] Underfull \hbox (badness 10000) detected at line 1145 [][][] Underfull \hbox (badness 10000) detected at line 1148 [][][] ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 233 [][][] Underfull \hbox (badness 10000) detected at line 236 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [1125] Underfull \hbox (badness 10000) detected at line 467 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.24 on input line 477. Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.25 on input line 502. [1126] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 520 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.26 on input line 527. Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 545 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.27 on input line 552. Underfull \hbox (badness 10000) detected at line 567 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] [1127] Package longtable Warning: Column widths have changed (longtable) in table 9.28 on input line 577. Underfull \hbox (badness 10000) detected at line 592 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Package longtable Warning: Column widths have changed (longtable) in table 9.29 on input line 602. Underfull \hbox (badness 10000) detected at line 617 [][][] Underfull \hbox (badness 10000) detected at line 620 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] Underfull \hbox (badness 10000) detected at line 640 [][][] [1128] Underfull \hbox (badness 10000) detected at line 657 [][][] Underfull \hbox (badness 10000) detected at line 674 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] [1129] Underfull \hbox (badness 10000) detected at line 742 [][][] Underfull \hbox (badness 10000) detected at line 759 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] [1130] Underfull \hbox (badness 10000) detected at line 817 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] Underfull \hbox (badness 10000) detected at line 868 [][][] Underfull \hbox (badness 10000) detected at line 881 [][][] [1131] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 911 [][][] [1132] Underfull \hbox (badness 10000) detected at line 955 [][][] Underfull \hbox (badness 10000) detected at line 985 [][][] [1133] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1029 [][][] Underfull \hbox (badness 10000) detected at line 1051 [][][] Underfull \hbox (badness 10000) detected at line 1054 [][][] Underfull \hbox (badness 10000) detected at line 1071 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1074 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1121 [][][] Underfull \hbox (badness 10000) detected at line 1124 [][][] [1135] Underfull \hbox (badness 10000) detected at line 1156 [][][] Underfull \hbox (badness 10000) detected at line 1173 [][][] [1136] Underfull \hbox (badness 10000) detected at line 1205 [][][] Underfull \hbox (badness 10000) detected at line 1208 [][][] ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217] [1218] [1219] [1220] [1221] [1222] [1223]) (./build_pd_8h_source.tex [1224] [1225] [1226]) (./cgd_8c_source.tex) (./cgd_8h_source.tex [1227]) (./gsd_8c_source.tex [1228] [1229] [1230] [1231]) (./gsd_8h_source.tex [1232]) (./matvecd_8c_source.tex [1233] [1234] [1235] [1236] [1237] [1238] [1239] [1240] [1241] [1242] [1243] [1244] [1245]) 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[1320]) (./powerd_8c_source.tex [1321] [1322] [1323] [1324] [1325]) (./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 47--48 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 61--62 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy /m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 5817) in paragraph at lines 67--68 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 69--70 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1330] Underfull \hbox (badness 1442) in paragraph at lines 81--82 []\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/ m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 931) in paragraph at lines 87--88 []\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T 1/phv/m/n/10 fetk[][][], Gem Underfull \hbox (badness 2495) in paragraph at lines 89--90 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] [1331] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] Underfull \hbox (badness 10000) detected at line 122 [][][] ) (./routines_8c_source.tex [1332] [1333] [1334] [1335] [1336] [1337] [1338] [1339] [1340] [1341] [1342] [1343] [1344] [1345] [1346] [1347] [1348] [1349] [1350] [1351] [1352] [1353] [1354] [1355] [1356] [1357] [1358] [1359] [1360] [1361] [1362] [1363] [1364] [1365] [1366] [1367] [1368] [1369] [1370] [1371] [1372] [1373] [1374] [1375] [1376] [1377] [1378] [1379] [1380] [1381] [1382] [1383] [1384] [1385] [1386] [1387] [1388] [1389] [1390] [1391] [1392] [1393] [1394] [1395] [1396] [1397] [1398] [1399] [1400]) (./routines_8h.tex <./routine s_8h__incl.pdf> <./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 50--51 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 70--71 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 70--71 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 88--89 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 122--123 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] (./refman.ind [1411] [1412] [1413] [1414] [1415] [1416] [1417] [1418] [1419] [1420] [1421] [1422] [1423] [1424] [1425] [1426] [1427] [1428] [1429] [1430] [1431] [1432] [1433] [1434] [1435] [1436] [1437] [1438] [1439] [1440] [1441] [1442] [1443] [1444] [1445] [1446] [1447] [1448] [1449] [1450] [1451] [1452] [1453] [1454] [1455] [1456] [1457] [1458] [1459]) Package longtable Warning: Table widths have changed. Rerun LaTeX. (./refman.aux) Package rerunfilecheck Warning: File `refman.out' has changed. (rerunfilecheck) Rerun to get outlines right (rerunfilecheck) or use package `bookmark'. ) (see the transcript file for additional information)< /usr/share/texlive/texmf-dist/fonts/type1/urw/courier/ucrro8a.pfb> Output written on refman.pdf (1517 pages, 6330626 bytes). Transcript written on refman.log. Package longtable Warning: Table widths have changed. Rerun LaTeX. Rerunning latex.... 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(./group___header.tex) (./group___vcsm.tex [19] Underfull \hbox (badness 10000) detected at line 93 [][][] [20] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [21] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] Underfull \hbox (badness 10000) detected at line 223 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Overfull \vbox (4.57304pt too high) has occurred while \output is active [22] Underfull \hbox (badness 10000) detected at line 252 [][][] Underfull \hbox (badness 10000) detected at line 255 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 284 [][][] [23] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 338 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] [24] Underfull \hbox (badness 10000) detected at line 393 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [25] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] ) (./group___vfetk.tex [26] [27] [28] [29] [30] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] [31] Underfull \hbox (badness 10000) detected at line 398 [][][] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 463 [][][] Underfull \hbox (badness 10000) detected at line 466 [][][] [32] Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 498 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] [33] Underfull \hbox (badness 10000) detected at line 559 [][][] Underfull \hbox (badness 10000) detected at line 569 [][][] [34] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 615 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] [35] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 661 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [36] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 779 [][][] [37] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 804 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 810 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 837 [][][] [38] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 862 [][][] Underfull \hbox (badness 10000) detected at line 865 [][][] Underfull \hbox (badness 10000) detected at line 889 [][][] Underfull \hbox (badness 10000) detected at line 892 [][][] [39] Underfull \hbox (badness 10000) detected at line 914 [][][] Underfull \hbox (badness 10000) detected at line 917 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Overfull \vbox (16.42432pt too high) has occurred while \output is active [40] Underfull \hbox (badness 10000) detected at line 989 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] Underfull \hbox (badness 10000) detected at line 1017 [][][] [41] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1046 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] [42] Underfull \hbox (badness 10000) detected at line 1136 [][][] Underfull \hbox (badness 10000) detected at line 1139 [][][] [43] Underfull \hbox (badness 10000) detected at line 1169 [][][] Underfull \hbox (badness 10000) detected at line 1172 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1197 [][][] Underfull \hbox (badness 10000) detected at line 1222 [][][] [44] [45] Underfull \hbox (badness 10000) detected at line 1255 [][][] Underfull \hbox (badness 10000) detected at line 1258 [][][] Underfull \hbox (badness 10000) detected at line 1288 [][][] [46] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1317 [][][] Underfull \hbox (badness 10000) detected at line 1345 [][][] [47] Underfull \hbox (badness 10000) detected at line 1375 [][][] Underfull \hbox (badness 10000) detected at line 1409 [][][] [48] Underfull \hbox (badness 10000) detected at line 1412 [][][] Underfull \hbox (badness 10000) detected at line 1438 [][][] Underfull \hbox (badness 10000) detected at line 1441 [][][] [49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Underfull \hbox (badness 10000) detected at line 1735 [][][] Underfull \hbox (badness 10000) detected at line 1745 [][][] [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Underfull \hbox (badness 10000) detected at line 1851 [][][] Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56]) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] [60] Underfull \hbox (badness 10000) detected at line 241 [][][] Underfull \hbox (badness 10000) detected at line 244 [][][] ) (./group___a_p_o_lparm.tex [61] [62] [63] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 220 [][][] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] [64] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] ) (./group___b_e_mparm.tex [65] [66] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 133 [][][] [67] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] [68] Underfull \hbox (badness 10000) detected at line 224 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] ) (./group___f_e_mparm.tex [69] [70] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [71] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 231 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] [72] Underfull \hbox (badness 10000) detected at line 280 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] [73] Underfull \hbox (badness 10000) detected at line 354 [][][] ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Underfull \hbox (badness 10000) detected at line 173 [][][] Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] ) (./group___n_osh.tex [88] [89] [90] [91] [92] Underfull \hbox (badness 10000) detected at line 431 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 482 [][][] Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Underfull \hbox (badness 10000) detected at line 1224 [][][] [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Underfull \hbox (badness 10000) detected at line 1261 [][][] ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 221 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Underfull \hbox (badness 10000) detected at line 295 [][][] [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 365 [][][] [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Underfull \hbox (badness 10000) detected at line 413 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 485 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] Underfull \hbox (badness 10000) detected at line 581 [][][] [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Underfull \hbox (badness 10000) detected at line 634 [][][] ) (./group___p_b_eparm.tex [115] [116] [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 349 [][][] [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 397 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Underfull \hbox (badness 10000) detected at line 660 [][][] [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Underfull \hbox (badness 10000) detected at line 724 [][][] Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 790 [][][] [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Underfull \hbox (badness 10000) detected at line 1100 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 136 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 614 [][][] Underfull \hbox (badness 10000) detected at line 638 [][][] [162] Underfull \hbox (badness 10000) detected at line 662 [][][] ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Underfull \hbox (badness 10000) detected at line 385 [][][] Underfull \hbox (badness 10000) detected at line 407 [][][] ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Underfull \hbox (badness 10000) detected at line 729 [][][] [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! [188] [189] Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190]) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 400 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 291 [][][] Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 290 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 663 [][][] [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Underfull \hbox (badness 10000) detected at line 254 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 214 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] [246] Underfull \hbox (badness 10000) detected at line 186 [][][] [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] [248] Underfull \hbox (badness 10000) detected at line 324 [][][] [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 546 [][][] [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Underfull \hbox (badness 10000) detected at line 742 [][][] [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Underfull \hbox (badness 10000) detected at line 956 [][][] Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Underfull \hbox (badness 10000) detected at line 1008 [][][] Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Underfull \hbox (badness 10000) detected at line 1252 [][][] [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Underfull \hbox (badness 10000) detected at line 1303 [][][] [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Underfull \hbox (badness 10000) detected at line 1373 [][][] [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] [271] Underfull \hbox (badness 10000) detected at line 208 [][][] ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Underfull \hbox (badness 10000) detected at line 235 [][][] [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 748 [][][] [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 792 [][][] Underfull \hbox (badness 10000) detected at line 818 [][][] [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Underfull \hbox (badness 10000) detected at line 866 [][][] Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Underfull \hbox (badness 10000) detected at line 1528 [][][] [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Underfull \hbox (badness 10000) detected at line 1636 [][][] Underfull \hbox (badness 10000) detected at line 1650 [][][] [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 162 [][][] Underfull \hbox (badness 10000) detected at line 165 [][][] [507] Underfull \hbox (badness 10000) detected at line 168 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 187 [][][] [546] Underfull \hbox (badness 10000) detected at line 190 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [579] Underfull \hbox (badness 10000) detected at line 120 [][][] ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 169 [][][] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 100 [][][] [698] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] [741] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [742] [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__ incl.pdf> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 127 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 53--55 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 81 [][][] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] Underfull \hbox (badness 10000) detected at line 76 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 45 [][][] Underfull \hbox (badness 10000) detected at line 48 [][][] [808] Underfull \hbox (badness 10000) detected at line 51 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 31--33 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 316--316 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 35 [][][] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] [860] Underfull \hbox (badness 10000) detected at line 83 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [876] Underfull \hbox (badness 10000) detected at line 95 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 41. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 27 [][][] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 83 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] [913] Underfull \hbox (badness 10000) detected at line 168 [][][] [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 91 [][][] [941] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] [942] Underfull \hbox (badness 10000) detected at line 163 [][][] ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 58--58 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 63 [][][] Underfull \hbox (badness 10000) detected at line 66 [][][] Underfull \hbox (badness 10000) detected at line 69 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] [966] Underfull \hbox (badness 10000) detected at line 260 [][][] [967] Underfull \hbox (badness 10000) detected at line 287 [][][] [968] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [969] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] [970] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 511 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] [971] Underfull \hbox (badness 10000) detected at line 573 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 624 [][][] Underfull \hbox (badness 10000) detected at line 641 [][][] [972] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 696 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] [973] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 794 [][][] [974] Underfull \hbox (badness 10000) detected at line 831 [][][] [975] Underfull \hbox (badness 10000) detected at line 875 [][][] [976] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 947 [][][] [977] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 991 [][][] Underfull \hbox (badness 10000) detected at line 994 [][][] Underfull \hbox (badness 10000) detected at line 1011 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] [978] Underfull \hbox (badness 10000) detected at line 1036 [][][] Underfull \hbox (badness 10000) detected at line 1039 [][][] Underfull \hbox (badness 10000) detected at line 1061 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [979] Underfull \hbox (badness 10000) detected at line 1113 [][][] Underfull \hbox (badness 10000) detected at line 1145 [][][] Underfull \hbox (badness 10000) detected at line 1148 [][][] ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 233 [][][] Underfull \hbox (badness 10000) detected at line 236 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [1125] Underfull \hbox (badness 10000) detected at line 467 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] [1126] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 545 [][][] Underfull \hbox (badness 10000) detected at line 567 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] [1127] Underfull \hbox (badness 10000) detected at line 592 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 617 [][][] Underfull \hbox (badness 10000) detected at line 620 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] Underfull \hbox (badness 10000) detected at line 640 [][][] [1128] Underfull \hbox (badness 10000) detected at line 657 [][][] Underfull \hbox (badness 10000) detected at line 674 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] [1129] Underfull \hbox (badness 10000) detected at line 742 [][][] Underfull \hbox (badness 10000) detected at line 759 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] [1130] Underfull \hbox (badness 10000) detected at line 817 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] Underfull \hbox (badness 10000) detected at line 868 [][][] Underfull \hbox (badness 10000) detected at line 881 [][][] [1131] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 911 [][][] [1132] Underfull \hbox (badness 10000) detected at line 955 [][][] Underfull \hbox (badness 10000) detected at line 985 [][][] [1133] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1029 [][][] Underfull \hbox (badness 10000) detected at line 1051 [][][] Underfull \hbox (badness 10000) detected at line 1054 [][][] Underfull \hbox (badness 10000) detected at line 1071 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1074 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1121 [][][] Underfull \hbox (badness 10000) detected at line 1124 [][][] [1135] Underfull \hbox (badness 10000) detected at line 1156 [][][] Underfull \hbox (badness 10000) detected at line 1173 [][][] [1136] Underfull \hbox (badness 10000) detected at line 1205 [][][] Underfull \hbox (badness 10000) detected at line 1208 [][][] ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] 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[1296] [1297]) (./mlinpckd_8c_source.tex [1298] [1299]) (./mlinpckd_8h_source.tex) (./mypdec_8c_source.tex [1300] [1301] [1302] [1303] [1304] [1305] [1306]) (./mypdec_8h_source.tex [1307]) (./newdrvd_8c_source.tex [1308] [1309] [1310] [1311]) (./newdrvd_8h_source.tex [1312]) (./newtond_8c_source.tex [1313] [1314] [1315] [1316] [1317] [1318] [1319]) (./newtond_8h_source.tex [1320]) (./powerd_8c_source.tex [1321] [1322] [1323] [1324] [1325]) (./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 47--48 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 61--62 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy /m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 5817) in paragraph at lines 67--68 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 69--70 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1330] Underfull \hbox (badness 1442) in paragraph at lines 81--82 []\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/ m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 931) in paragraph at lines 87--88 []\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T 1/phv/m/n/10 fetk[][][], Gem Underfull \hbox (badness 2495) in paragraph at lines 89--90 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] [1331] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] Underfull \hbox (badness 10000) detected at line 122 [][][] ) (./routines_8c_source.tex [1332] [1333] [1334] [1335] [1336] [1337] [1338] [1339] [1340] [1341] [1342] [1343] [1344] [1345] [1346] [1347] [1348] [1349] [1350] [1351] [1352] [1353] [1354] [1355] [1356] [1357] [1358] [1359] [1360] [1361] [1362] [1363] [1364] [1365] [1366] [1367] [1368] [1369] [1370] [1371] [1372] [1373] [1374] [1375] [1376] [1377] [1378] [1379] [1380] [1381] [1382] [1383] [1384] [1385] [1386] [1387] [1388] [1389] [1390] [1391] [1392] [1393] [1394] [1395] [1396] [1397] [1398] [1399] [1400]) (./routines_8h.tex <./routine s_8h__incl.pdf> <./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 50--51 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 70--71 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 70--71 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 88--89 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 122--123 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] (./refman.ind [1411] [1412] [1413] [1414] [1415] [1416] [1417] [1418] [1419] [1420] [1421] [1422] [1423] [1424] [1425] [1426] [1427] [1428] [1429] [1430] [1431] [1432] [1433] [1434] [1435] [1436] [1437] [1438] [1439] [1440] [1441] [1442] [1443] [1444] [1445] [1446] [1447] [1448] [1449] [1450] [1451] [1452] [1453] [1454] [1455] [1456] [1457] [1458] [1459]) (./refman.aux) ) (see the transcript file for additional information)< /usr/share/texlive/texmf-dist/fonts/type1/urw/courier/ucrro8a.pfb> Output written on refman.pdf (1517 pages, 6332919 bytes). Transcript written on refman.log. This is makeindex, version 2.17 [TeX Live 2023] (kpathsea + Thai support). Scanning input file refman.idx.......done (3687 entries accepted, 0 rejected). Sorting entries...................................done (46845 comparisons). Generating output file refman.ind.......done (5317 lines written, 0 warnings). Output written in refman.ind. Transcript written in refman.ilg. 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(/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1phv.fd) (/usr/share/texlive/texmf-dist/tex/latex/psnfss/t1pcr.fd) [1] (/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1pcr.fd) [2]) (./bug.tex [3] [4] Chapter 2. [5] [6]) (./deprecated.tex [7] [8] Chapter 3. ) [9] [10] Chapter 4. (./topics.tex) [11] [12] Chapter 5. (./annotated.tex [13]) [14] Chapter 6. (./files.tex [15] [16] [17]) [18] Chapter 7. (./group___header.tex) (./group___vcsm.tex [19] Underfull \hbox (badness 10000) detected at line 93 [][][] [20] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] [21] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] Underfull \hbox (badness 10000) detected at line 223 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Overfull \vbox (4.57304pt too high) has occurred while \output is active [22] Underfull \hbox (badness 10000) detected at line 252 [][][] Underfull \hbox (badness 10000) detected at line 255 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 284 [][][] [23] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 338 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] [24] Underfull \hbox (badness 10000) detected at line 393 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [25] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] ) (./group___vfetk.tex [26] [27] [28] [29] [30] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] [31] Underfull \hbox (badness 10000) detected at line 398 [][][] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 463 [][][] Underfull \hbox (badness 10000) detected at line 466 [][][] [32] Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 498 [][][] Underfull \hbox (badness 10000) detected at line 522 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] [33] Underfull \hbox (badness 10000) detected at line 559 [][][] Underfull \hbox (badness 10000) detected at line 569 [][][] [34] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 615 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] [35] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 661 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 717 [][][] [36] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 751 [][][] Underfull \hbox (badness 10000) detected at line 779 [][][] [37] Underfull \hbox (badness 10000) detected at line 782 [][][] Underfull \hbox (badness 10000) detected at line 804 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 810 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 837 [][][] [38] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 862 [][][] Underfull \hbox (badness 10000) detected at line 865 [][][] Underfull \hbox (badness 10000) detected at line 889 [][][] Underfull \hbox (badness 10000) detected at line 892 [][][] [39] Underfull \hbox (badness 10000) detected at line 914 [][][] Underfull \hbox (badness 10000) detected at line 917 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Overfull \vbox (16.42432pt too high) has occurred while \output is active [40] Underfull \hbox (badness 10000) detected at line 989 [][][] Underfull \hbox (badness 10000) detected at line 992 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] Underfull \hbox (badness 10000) detected at line 1017 [][][] [41] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1046 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] Underfull \hbox (badness 10000) detected at line 1073 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] [42] Underfull \hbox (badness 10000) detected at line 1136 [][][] Underfull \hbox (badness 10000) detected at line 1139 [][][] [43] Underfull \hbox (badness 10000) detected at line 1169 [][][] Underfull \hbox (badness 10000) detected at line 1172 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1197 [][][] Underfull \hbox (badness 10000) detected at line 1222 [][][] [44] [45] Underfull \hbox (badness 10000) detected at line 1255 [][][] Underfull \hbox (badness 10000) detected at line 1258 [][][] Underfull \hbox (badness 10000) detected at line 1288 [][][] [46] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1317 [][][] Underfull \hbox (badness 10000) detected at line 1345 [][][] [47] Underfull \hbox (badness 10000) detected at line 1375 [][][] Underfull \hbox (badness 10000) detected at line 1409 [][][] [48] Underfull \hbox (badness 10000) detected at line 1412 [][][] Underfull \hbox (badness 10000) detected at line 1438 [][][] Underfull \hbox (badness 10000) detected at line 1441 [][][] [49] Underfull \hbox (badness 10000) detected at line 1467 [][][] Underfull \hbox (badness 10000) detected at line 1470 [][][] Underfull \hbox (badness 10000) detected at line 1504 [][][] Underfull \hbox (badness 10000) detected at line 1507 [][][] [50] Underfull \hbox (badness 10000) detected at line 1535 [][][] [51] Underfull \hbox (badness 10000) detected at line 1569 [][][] Underfull \hbox (badness 10000) detected at line 1572 [][][] [52] Underfull \hbox (badness 10000) detected at line 1655 [][][] Underfull \hbox (badness 10000) detected at line 1689 [][][] Underfull \hbox (badness 10000) detected at line 1692 [][][] [53] Underfull \hbox (badness 10000) detected at line 1735 [][][] Underfull \hbox (badness 10000) detected at line 1745 [][][] [54] Underfull \hbox (badness 10000) detected at line 1769 [][][] Underfull \hbox (badness 10000) detected at line 1772 [][][] Underfull \hbox (badness 10000) detected at line 1775 [][][] Underfull \hbox (badness 10000) detected at line 1797 [][][] Underfull \hbox (badness 10000) detected at line 1800 [][][] Underfull \hbox (badness 10000) detected at line 1803 [][][] [55] Underfull \hbox (badness 10000) detected at line 1825 [][][] Underfull \hbox (badness 10000) detected at line 1851 [][][] Underfull \hbox (badness 10000) detected at line 1871 [][][] Underfull \hbox (badness 10000) detected at line 1876 [][][] [56]) (./group___vpee.tex Underfull \hbox (badness 849) in paragraph at lines 45--46 \T1/phv/m/n/10 Holst par-al-lel re-fine-ment rou-tine es-sen-tially re-duces th e er-ror out-side the \T1/pcr/m/n/10 local" partition to zero. Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 However, this leads to the need for a few final overlapping Schw arz solves to Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 smooth out the errors near partition boundaries. Supposedly, if the region in Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 which we allow error-based refinement includes the$\OML/cmm/m/it /10 <$\T1/pcr/m/n/10 /tt$\OML/cmm/m/it/10 >$\T1/pcr/m/n/10 local" partition and an Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 external buffer zone approximately equal in size to the local re gion, then the Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 solution will asymptotically approach the solution obtained via more typical Underfull \hbox (badness 10000) in paragraph at lines 45--46 \T1/pcr/m/n/10 methods. This is essentially a more flexible parallel implementa tion of MC\TS1/pcr/m/n/10 '\T1/pcr/m/n/10 s [57] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] [58] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] [59] Underfull \hbox (badness 10000) detected at line 171 [][][] Underfull \hbox (badness 10000) detected at line 195 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 201 [][][] [60] Underfull \hbox (badness 10000) detected at line 241 [][][] Underfull \hbox (badness 10000) detected at line 244 [][][] ) (./group___a_p_o_lparm.tex [61] [62] [63] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 220 [][][] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] [64] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 306 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] ) (./group___b_e_mparm.tex [65] [66] Underfull \hbox (badness 10000) detected at line 65 [][][] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 133 [][][] [67] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] [68] Underfull \hbox (badness 10000) detected at line 224 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] ) (./group___f_e_mparm.tex [69] [70] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [71] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 231 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] [72] Underfull \hbox (badness 10000) detected at line 280 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] [73] Underfull \hbox (badness 10000) detected at line 354 [][][] ) (./group___g_e_o_f_l_o_wparm.tex [74] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Overfull \vbox (1.27277pt too high) has occurred while \output is active [75] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 149 [][][] Underfull \hbox (badness 10000) detected at line 173 [][][] Overfull \vbox (1.0273pt too high) has occurred while \output is active [76] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] Underfull \hbox (badness 10000) detected at line 208 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 247 [][][] [77] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] ) (./group___m_gparm.tex [78] [79] [80] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 217 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 246 [][][] [81] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 288 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 320 [][][] [82] Underfull \hbox (badness 10000) detected at line 337 [][][] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 364 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] [83] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] [84] Underfull \hbox (badness 10000) detected at line 466 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 491 [][][] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] [85] Underfull \hbox (badness 10000) detected at line 541 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 591 [][][] [86] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] Underfull \hbox (badness 10000) detected at line 645 [][][] Underfull \hbox (badness 10000) detected at line 662 [][][] [87] Underfull \hbox (badness 10000) detected at line 686 [][][] Underfull \hbox (badness 10000) detected at line 710 [][][] ) (./group___n_osh.tex [88] [89] [90] [91] [92] Underfull \hbox (badness 10000) detected at line 431 [][][] Underfull \hbox (badness 10000) detected at line 441 [][][] [93] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 482 [][][] Underfull \hbox (badness 10000) detected at line 490 [][][] Underfull \hbox (badness 10000) detected at line 507 [][][] [94] Underfull \hbox (badness 10000) detected at line 529 [][][] Underfull \hbox (badness 10000) detected at line 539 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 568 [][][] Underfull \hbox (badness 10000) detected at line 585 [][][] [95] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 639 [][][] Underfull \hbox (badness 10000) detected at line 656 [][][] Underfull \hbox (badness 10000) detected at line 659 [][][] Overfull \vbox (21.19623pt too high) has occurred while \output is active [96] Underfull \hbox (badness 10000) detected at line 669 [][][] Underfull \hbox (badness 10000) detected at line 672 [][][] Underfull \hbox (badness 10000) detected at line 689 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] Underfull \hbox (badness 10000) detected at line 726 [][][] [97] Underfull \hbox (badness 10000) detected at line 743 [][][] Underfull \hbox (badness 10000) detected at line 753 [][][] Underfull \hbox (badness 10000) detected at line 770 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] [98] Underfull \hbox (badness 10000) detected at line 797 [][][] Underfull \hbox (badness 10000) detected at line 807 [][][] Underfull \hbox (badness 10000) detected at line 824 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] [99] Underfull \hbox (badness 10000) detected at line 861 [][][] Underfull \hbox (badness 10000) detected at line 878 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 905 [][][] Underfull \hbox (badness 10000) detected at line 915 [][][] [100] Underfull \hbox (badness 10000) detected at line 932 [][][] Underfull \hbox (badness 10000) detected at line 942 [][][] Underfull \hbox (badness 10000) detected at line 959 [][][] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 986 [][][] [101] Underfull \hbox (badness 10000) detected at line 996 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] Underfull \hbox (badness 10000) detected at line 1016 [][][] Underfull \hbox (badness 10000) detected at line 1026 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] Underfull \hbox (badness 10000) detected at line 1048 [][][] [102] Underfull \hbox (badness 10000) detected at line 1058 [][][] Underfull \hbox (badness 10000) detected at line 1075 [][][] Underfull \hbox (badness 10000) detected at line 1078 [][][] Underfull \hbox (badness 10000) detected at line 1090 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1110 [][][] Underfull \hbox (badness 10000) detected at line 1113 [][][] Overfull \vbox (16.8538pt too high) has occurred while \output is active [103] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1126 [][][] Underfull \hbox (badness 10000) detected at line 1143 [][][] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1158 [][][] Underfull \hbox (badness 10000) detected at line 1161 [][][] Underfull \hbox (badness 10000) detected at line 1178 [][][] Underfull \hbox (badness 10000) detected at line 1181 [][][] [104] Underfull \hbox (badness 10000) detected at line 1191 [][][] Underfull \hbox (badness 10000) detected at line 1194 [][][] Underfull \hbox (badness 10000) detected at line 1211 [][][] Underfull \hbox (badness 10000) detected at line 1214 [][][] Underfull \hbox (badness 10000) detected at line 1224 [][][] [105] Underfull \hbox (badness 10000) detected at line 1248 [][][] Underfull \hbox (badness 10000) detected at line 1251 [][][] Underfull \hbox (badness 10000) detected at line 1261 [][][] ) (./group___p_b_a_mparm.tex [106] [107] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [108] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 197 [][][] Underfull \hbox (badness 10000) detected at line 221 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [109] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 273 [][][] Underfull \hbox (badness 10000) detected at line 295 [][][] [110] Underfull \hbox (badness 10000) detected at line 317 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 365 [][][] [111] Underfull \hbox (badness 10000) detected at line 389 [][][] Underfull \hbox (badness 10000) detected at line 413 [][][] Underfull \hbox (badness 10000) detected at line 437 [][][] [112] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 485 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] [113] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 557 [][][] Underfull \hbox (badness 10000) detected at line 581 [][][] [114] Underfull \hbox (badness 10000) detected at line 593 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] Underfull \hbox (badness 10000) detected at line 634 [][][] ) (./group___p_b_eparm.tex [115] [116] [117] Underfull \hbox (badness 10000) detected at line 209 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] [118] Underfull \hbox (badness 10000) detected at line 261 [][][] Underfull \hbox (badness 10000) detected at line 278 [][][] Underfull \hbox (badness 10000) detected at line 281 [][][] Underfull \hbox (badness 10000) detected at line 303 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] [119] Underfull \hbox (badness 10000) detected at line 347 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 374 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [120] Underfull \hbox (badness 10000) detected at line 401 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 431 [][][] ) (./group___p_b_s_a_mparm.tex [121] [122] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [123] Underfull \hbox (badness 10000) detected at line 164 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 205 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [124] Underfull \hbox (badness 10000) detected at line 230 [][][] Underfull \hbox (badness 10000) detected at line 240 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] [125] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 349 [][][] [126] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 397 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 426 [][][] ) (./group___vacc.tex [127] [128] [129] Underfull \hbox (badness 10000) detected at line 149 [][][] [130] Underfull \hbox (badness 10000) detected at line 179 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] [131] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [132] Underfull \hbox (badness 10000) detected at line 305 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 337 [][][] [133] Underfull \hbox (badness 10000) detected at line 365 [][][] Underfull \hbox (badness 10000) detected at line 387 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] Underfull \hbox (badness 10000) detected at line 414 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] [134] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 450 [][][] Underfull \hbox (badness 10000) detected at line 472 [][][] Underfull \hbox (badness 10000) detected at line 475 [][][] [135] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] Underfull \hbox (badness 10000) detected at line 530 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] [136] Underfull \hbox (badness 10000) detected at line 562 [][][] Underfull \hbox (badness 10000) detected at line 565 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 598 [][][] Overfull \vbox (16.46712pt too high) has occurred while \output is active [137] Underfull \hbox (badness 10000) detected at line 628 [][][] Underfull \hbox (badness 10000) detected at line 660 [][][] [138] Underfull \hbox (badness 10000) detected at line 692 [][][] Underfull \hbox (badness 10000) detected at line 724 [][][] Overfull \vbox (4.0678pt too high) has occurred while \output is active [139] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 790 [][][] [140] Underfull \hbox (badness 10000) detected at line 820 [][][] Underfull \hbox (badness 10000) detected at line 852 [][][] Underfull \hbox (badness 10000) detected at line 855 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] [141] Underfull \hbox (badness 10000) detected at line 882 [][][] Underfull \hbox (badness 10000) detected at line 885 [][][] Underfull \hbox (badness 10000) detected at line 888 [][][] Underfull \hbox (badness 10000) detected at line 918 [][][] Underfull \hbox (badness 10000) detected at line 921 [][][] [142] Underfull \hbox (badness 10000) detected at line 941 [][][] Underfull \hbox (badness 10000) detected at line 944 [][][] Underfull \hbox (badness 10000) detected at line 972 [][][] Underfull \hbox (badness 10000) detected at line 975 [][][] [143] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1040 [][][] Underfull \hbox (badness 10000) detected at line 1043 [][][] [144] Underfull \hbox (badness 10000) detected at line 1069 [][][] Underfull \hbox (badness 10000) detected at line 1072 [][][] Underfull \hbox (badness 10000) detected at line 1100 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Overfull \vbox (3.74054pt too high) has occurred while \output is active [145] Underfull \hbox (badness 10000) detected at line 1146 [][][] Underfull \hbox (badness 10000) detected at line 1149 [][][] Underfull \hbox (badness 10000) detected at line 1152 [][][] ) (./group___valist.tex [146] Underfull \hbox (badness 10000) detected at line 91 [][][] [147] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 111 [][][] Underfull \hbox (badness 10000) detected at line 114 [][][] Underfull \hbox (badness 10000) detected at line 136 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [148] Underfull \hbox (badness 10000) detected at line 180 [][][] Underfull \hbox (badness 10000) detected at line 183 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 232 [][][] [149] Underfull \hbox (badness 10000) detected at line 235 [][][] Underfull \hbox (badness 10000) detected at line 257 [][][] Underfull \hbox (badness 10000) detected at line 260 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] Underfull \hbox (badness 10000) detected at line 285 [][][] [150] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 310 [][][] Underfull \hbox (badness 10000) detected at line 332 [][][] Underfull \hbox (badness 10000) detected at line 335 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 355 [][][] [151] Underfull \hbox (badness 10000) detected at line 377 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 409 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] [152] Underfull \hbox (badness 10000) detected at line 443 [][][] Underfull \hbox (badness 10000) detected at line 446 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] ) (./group___vatom.tex [153] [154] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 134 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] [155] Underfull \hbox (badness 10000) detected at line 182 [][][] Underfull \hbox (badness 10000) detected at line 185 [][][] Underfull \hbox (badness 10000) detected at line 202 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] Underfull \hbox (badness 10000) detected at line 227 [][][] [156] Underfull \hbox (badness 10000) detected at line 249 [][][] Underfull \hbox (badness 10000) detected at line 271 [][][] Underfull \hbox (badness 10000) detected at line 279 [][][] Underfull \hbox (badness 10000) detected at line 296 [][][] [157] Underfull \hbox (badness 10000) detected at line 320 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] Underfull \hbox (badness 10000) detected at line 353 [][][] Underfull \hbox (badness 10000) detected at line 370 [][][] [158] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [159] Underfull \hbox (badness 10000) detected at line 469 [][][] Underfull \hbox (badness 10000) detected at line 477 [][][] Underfull \hbox (badness 10000) detected at line 494 [][][] [160] Underfull \hbox (badness 10000) detected at line 518 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 566 [][][] [161] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 614 [][][] Underfull \hbox (badness 10000) detected at line 638 [][][] [162] Underfull \hbox (badness 10000) detected at line 662 [][][] ) (./group___vcap.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [163] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] [164] Underfull \hbox (badness 10000) detected at line 122 [][][] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] Underfull \hbox (badness 10000) detected at line 158 [][][] ) (./group___vclist.tex [165] [166] Underfull \hbox (badness 10000) detected at line 110 [][][] Underfull \hbox (badness 10000) detected at line 140 [][][] Underfull \hbox (badness 10000) detected at line 143 [][][] [167] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 212 [][][] [168] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 256 [][][] Underfull \hbox (badness 10000) detected at line 259 [][][] Underfull \hbox (badness 10000) detected at line 283 [][][] [169] Underfull \hbox (badness 10000) detected at line 286 [][][] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 336 [][][] [170] Underfull \hbox (badness 10000) detected at line 358 [][][] Underfull \hbox (badness 10000) detected at line 361 [][][] Underfull \hbox (badness 10000) detected at line 385 [][][] Underfull \hbox (badness 10000) detected at line 407 [][][] ) (./group___vgreen.tex [171] [172] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [173] Underfull \hbox (badness 10000) detected at line 141 [][][] Underfull \hbox (badness 10000) detected at line 159 [][][] [174] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Overfull \vbox (14.30956pt too high) has occurred while \output is active [175] Underfull \hbox (badness 10000) detected at line 239 [][][] Underfull \hbox (badness 10000) detected at line 258 [][][] Underfull \hbox (badness 10000) detected at line 282 [][][] [176] Underfull \hbox (badness 10000) detected at line 299 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Underfull \hbox (badness 10000) detected at line 324 [][][] Underfull \hbox (badness 10000) detected at line 334 [][][] Underfull \hbox (badness 10000) detected at line 351 [][][] [177] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 424 [][][] [178] Underfull \hbox (badness 10000) detected at line 429 [][][] Underfull \hbox (badness 10000) detected at line 449 [][][] Underfull \hbox (badness 10000) detected at line 471 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [179] Underfull \hbox (badness 10000) detected at line 500 [][][] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] ) (./group___vhal.tex [180] [181] [182] [183] Underfull \hbox (badness 10000) detected at line 380 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [184] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 516 [][][] [185] Underfull \hbox (badness 10000) detected at line 547 [][][] [186] Underfull \hbox (badness 10000) detected at line 682 [][][] Underfull \hbox (badness 10000) detected at line 729 [][][] [187] Underfull \hbox (badness 10000) detected at line 760 [][][] Underfull \hbox (badness 10000) detected at line 795 [][][] Underfull \hbox (badness 10000) detected at line 842 [][][] Missing character: There is no Å in font cmr10! Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 58. Missing character: There is no Å in font cmr10! [188] [189] Underfull \hbox (badness 10000) detected at line 1019 [][][] Underfull \hbox (badness 10000) detected at line 1022 [][][] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] Underfull \hbox (badness 10000) detected at line 1070 [][][] [190]) (./group___vmatrix.tex) (./group___vparam.tex [191] [192] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [193] Underfull \hbox (badness 10000) detected at line 147 [][][] Underfull \hbox (badness 10000) detected at line 157 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] Underfull \hbox (badness 10000) detected at line 198 [][][] [194] Underfull \hbox (badness 10000) detected at line 222 [][][] Underfull \hbox (badness 10000) detected at line 225 [][][] Underfull \hbox (badness 10000) detected at line 242 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 267 [][][] [195] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 331 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 356 [][][] [196] Underfull \hbox (badness 10000) detected at line 378 [][][] Underfull \hbox (badness 10000) detected at line 400 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] Underfull \hbox (badness 10000) detected at line 415 [][][] Underfull \hbox (badness 10000) detected at line 418 [][][] [197] Underfull \hbox (badness 10000) detected at line 435 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] Underfull \hbox (badness 10000) detected at line 448 [][][] Underfull \hbox (badness 10000) detected at line 451 [][][] Underfull \hbox (badness 10000) detected at line 468 [][][] Underfull \hbox (badness 10000) detected at line 476 [][][] [198] Underfull \hbox (badness 10000) detected at line 493 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 537 [][][] [199] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] Underfull \hbox (badness 10000) detected at line 594 [][][] Underfull \hbox (badness 10000) detected at line 602 [][][] [200] Underfull \hbox (badness 10000) detected at line 619 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] [201]) (./group___vpbe.tex [202] [203] Underfull \hbox (badness 10000) detected at line 128 [][][] Underfull \hbox (badness 10000) detected at line 131 [][][] LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 133. Missing character: There is no Å in font cmr10! [204] Underfull \hbox (badness 10000) detected at line 136 [][][] [205] Underfull \hbox (badness 10000) detected at line 186 [][][] Underfull \hbox (badness 10000) detected at line 189 [][][] LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! LaTeX Warning: Command \r invalid in math mode on input line 190. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 195 [][][] Overfull \vbox (21.60152pt too high) has occurred while \output is active [206] Underfull \hbox (badness 10000) detected at line 247 [][][] Underfull \hbox (badness 10000) detected at line 269 [][][] Underfull \hbox (badness 10000) detected at line 291 [][][] Underfull \hbox (badness 10000) detected at line 299 [][][] [207] Overfull \hbox (151.96916pt too wide) in paragraph at lines 318--318 [] \T1/p cr/m/n/8 permittivity equal to the protein interior) and zero ionic[] Underfull \hbox (badness 10000) detected at line 325 [][][] Underfull \hbox (badness 10000) detected at line 333 [][][] Underfull \hbox (badness 10000) detected at line 350 [][][] Underfull \hbox (badness 10000) detected at line 358 [][][] [208] Underfull \hbox (badness 10000) detected at line 375 [][][] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 396 [][][] Underfull \hbox (badness 10000) detected at line 412 [][][] [209] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 478 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 503 [][][] [210] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 550 [][][] Underfull \hbox (badness 10000) detected at line 558 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [211] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 608 [][][] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 633 [][][] [212] Underfull \hbox (badness 10000) detected at line 650 [][][] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 683 [][][] Underfull \hbox (badness 10000) detected at line 700 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] [213] Underfull \hbox (badness 10000) detected at line 725 [][][] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 758 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] [214] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] Underfull \hbox (badness 10000) detected at line 808 [][][] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 833 [][][] [215] Underfull \hbox (badness 10000) detected at line 850 [][][] Underfull \hbox (badness 10000) detected at line 858 [][][] LaTeX Warning: Command \r invalid in math mode on input line 859. Missing character: There is no Å in font cmr10! Underfull \hbox (badness 10000) detected at line 875 [][][] Underfull \hbox (badness 10000) detected at line 883 [][][] Underfull \hbox (badness 10000) detected at line 900 [][][] Underfull \hbox (badness 10000) detected at line 908 [][][] [216] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 933 [][][] ) (./group___vstring.tex [217] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [218] Underfull \hbox (badness 10000) detected at line 96 [][][] Underfull \hbox (badness 10000) detected at line 99 [][][] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] ) (./group___vunit.tex [219] LaTeX Warning: Command \r invalid in math mode on input line 39. Missing character: There is no Å in font cmr9! [220] LaTeX Warning: Command \r invalid in math mode on input line 142. Missing character: There is no Å in font cmr10! ) (./group___vgrid.tex [221] [222] [223] Underfull \hbox (badness 10000) detected at line 125 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] Underfull \hbox (badness 10000) detected at line 168 [][][] [224] Underfull \hbox (badness 10000) detected at line 196 [][][] Underfull \hbox (badness 10000) detected at line 213 [][][] Underfull \hbox (badness 10000) detected at line 229 [][][] [225] Underfull \hbox (badness 10000) detected at line 246 [][][] Underfull \hbox (badness 10000) detected at line 268 [][][] Underfull \hbox (badness 10000) detected at line 290 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [226] Underfull \hbox (badness 10000) detected at line 319 [][][] Underfull \hbox (badness 10000) detected at line 327 [][][] Underfull \hbox (badness 10000) detected at line 344 [][][] Underfull \hbox (badness 10000) detected at line 352 [][][] Underfull \hbox (badness 10000) detected at line 369 [][][] Underfull \hbox (badness 10000) detected at line 377 [][][] [227] Underfull \hbox (badness 10000) detected at line 395 [][][] Underfull \hbox (badness 10000) detected at line 403 [][][] Underfull \hbox (badness 10000) detected at line 420 [][][] Underfull \hbox (badness 10000) detected at line 428 [][][] Underfull \hbox (badness 10000) detected at line 445 [][][] [228] Underfull \hbox (badness 10000) detected at line 453 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 489 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] [229] Underfull \hbox (badness 10000) detected at line 509 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 528 [][][] Underfull \hbox (badness 10000) detected at line 531 [][][] Underfull \hbox (badness 10000) detected at line 548 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [230] Underfull \hbox (badness 10000) detected at line 575 [][][] Underfull \hbox (badness 10000) detected at line 583 [][][] Underfull \hbox (badness 10000) detected at line 600 [][][] Underfull \hbox (badness 10000) detected at line 612 [][][] [231] Underfull \hbox (badness 10000) detected at line 629 [][][] Underfull \hbox (badness 10000) detected at line 663 [][][] [232] Underfull \hbox (badness 10000) detected at line 697 [][][] Underfull \hbox (badness 10000) detected at line 702 [][][] ) (./group___vmgrid.tex [233] [234] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] Underfull \hbox (badness 10000) detected at line 132 [][][] Underfull \hbox (badness 10000) detected at line 135 [][][] Underfull \hbox (badness 10000) detected at line 152 [][][] [235] Underfull \hbox (badness 10000) detected at line 160 [][][] Underfull \hbox (badness 10000) detected at line 177 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [236] Underfull \hbox (badness 10000) detected at line 232 [][][] Underfull \hbox (badness 10000) detected at line 254 [][][] Underfull \hbox (badness 10000) detected at line 264 [][][] Underfull \hbox (badness 10000) detected at line 277 [][][] [237] Underfull \hbox (badness 10000) detected at line 287 [][][] Underfull \hbox (badness 10000) detected at line 300 [][][] Underfull \hbox (badness 10000) detected at line 312 [][][] Underfull \hbox (badness 10000) detected at line 329 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] ) (./group___vopot.tex [238] [239] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [240] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 137 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 170 [][][] [241] Underfull \hbox (badness 10000) detected at line 192 [][][] Underfull \hbox (badness 10000) detected at line 214 [][][] Underfull \hbox (badness 10000) detected at line 226 [][][] Underfull \hbox (badness 10000) detected at line 243 [][][] Overfull \vbox (28.1848pt too high) has occurred while \output is active [242] Underfull \hbox (badness 10000) detected at line 255 [][][] ) (./group___vpmg.tex [243] [244] [245] Underfull \hbox (badness 10000) detected at line 117 [][][] Underfull \hbox (badness 10000) detected at line 150 [][][] [246] Underfull \hbox (badness 10000) detected at line 186 [][][] [247] Underfull \hbox (badness 10000) detected at line 234 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] [248] Underfull \hbox (badness 10000) detected at line 324 [][][] [249] Underfull \hbox (badness 10000) detected at line 362 [][][] Underfull \hbox (badness 10000) detected at line 381 [][][] Underfull \hbox (badness 10000) detected at line 384 [][][] [250] Underfull \hbox (badness 10000) detected at line 416 [][][] Underfull \hbox (badness 10000) detected at line 419 [][][] Underfull \hbox (badness 10000) detected at line 422 [][][] [251] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 484 [][][] Underfull \hbox (badness 10000) detected at line 487 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Overfull \vbox (1.11014pt too high) has occurred while \output is active [252] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 546 [][][] [253] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 604 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 610 [][][] [254] Underfull \hbox (badness 10000) detected at line 643 [][][] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] Underfull \hbox (badness 10000) detected at line 690 [][][] [255] Underfull \hbox (badness 10000) detected at line 712 [][][] Underfull \hbox (badness 10000) detected at line 715 [][][] Underfull \hbox (badness 10000) detected at line 718 [][][] Underfull \hbox (badness 10000) detected at line 742 [][][] [256] Underfull \hbox (badness 10000) detected at line 764 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 799 [][][] [257] Underfull \hbox (badness 10000) detected at line 802 [][][] Underfull \hbox (badness 10000) detected at line 856 [][][] Underfull \hbox (badness 10000) detected at line 859 [][][] Underfull \hbox (badness 10000) detected at line 864 [][][] [258] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 920 [][][] Underfull \hbox (badness 10000) detected at line 923 [][][] [259] Underfull \hbox (badness 10000) detected at line 928 [][][] Underfull \hbox (badness 10000) detected at line 956 [][][] Underfull \hbox (badness 10000) detected at line 982 [][][] [260] Underfull \hbox (badness 10000) detected at line 1008 [][][] Underfull \hbox (badness 10000) detected at line 1030 [][][] Underfull \hbox (badness 10000) detected at line 1033 [][][] [261] Underfull \hbox (badness 10000) detected at line 1055 [][][] Underfull \hbox (badness 10000) detected at line 1093 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [262] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1123 [][][] Underfull \hbox (badness 10000) detected at line 1160 [][][] [263] Underfull \hbox (badness 10000) detected at line 1163 [][][] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1190 [][][] Underfull \hbox (badness 10000) detected at line 1193 [][][] Underfull \hbox (badness 10000) detected at line 1198 [][][] [264] Underfull \hbox (badness 10000) detected at line 1226 [][][] Underfull \hbox (badness 10000) detected at line 1252 [][][] [265] Underfull \hbox (badness 10000) detected at line 1280 [][][] Underfull \hbox (badness 10000) detected at line 1283 [][][] Underfull \hbox (badness 10000) detected at line 1303 [][][] [266] Underfull \hbox (badness 10000) detected at line 1343 [][][] Underfull \hbox (badness 10000) detected at line 1346 [][][] Underfull \hbox (badness 10000) detected at line 1349 [][][] Underfull \hbox (badness 10000) detected at line 1373 [][][] [267] Underfull \hbox (badness 10000) detected at line 1401 [][][] Underfull \hbox (badness 10000) detected at line 1404 [][][] Underfull \hbox (badness 10000) detected at line 1426 [][][] Underfull \hbox (badness 10000) detected at line 1429 [][][] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] ) (./group___vpmgp.tex [268] Underfull \hbox (badness 10000) detected at line 45 [][][] [269] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 113 [][][] Underfull \hbox (badness 10000) detected at line 130 [][][] [270] Underfull \hbox (badness 10000) detected at line 152 [][][] Underfull \hbox (badness 10000) detected at line 174 [][][] [271] Underfull \hbox (badness 10000) detected at line 208 [][][] ) (./group___p_m_g_c.tex [272] [273] [274] [275] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 165--165 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [276] Underfull \hbox (badness 10000) detected at line 212 [][][] Underfull \hbox (badness 10000) detected at line 215 [][][] Underfull \hbox (badness 10000) detected at line 218 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 227--227 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [277] Underfull \hbox (badness 10000) detected at line 277 [][][] Underfull \hbox (badness 10000) detected at line 280 [][][] [278] Underfull \hbox (badness 10000) detected at line 308 [][][] Underfull \hbox (badness 10000) detected at line 311 [][][] Underfull \hbox (badness 10000) detected at line 339 [][][] Underfull \hbox (badness 10000) detected at line 342 [][][] Underfull \hbox (badness 10000) detected at line 345 [][][] [279] Overfull \hbox (304.08286pt too wide) in paragraph at lines 355--355 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 392 [][][] Underfull \hbox (badness 10000) detected at line 395 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 404--404 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [280] Underfull \hbox (badness 10000) detected at line 439 [][][] [281] Underfull \hbox (badness 10000) detected at line 503 [][][] Underfull \hbox (badness 10000) detected at line 506 [][][] Underfull \hbox (badness 10000) detected at line 509 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 518--518 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [282] Underfull \hbox (badness 10000) detected at line 556 [][][] Underfull \hbox (badness 10000) detected at line 559 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 568--568 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 606 [][][] [283] Underfull \hbox (badness 10000) detected at line 646 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] [284] [285] Underfull \hbox (badness 10000) detected at line 719 [][][] Underfull \hbox (badness 10000) detected at line 722 [][][] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 775 [][][] Underfull \hbox (badness 10000) detected at line 778 [][][] [286] Overfull \hbox (304.08286pt too wide) in paragraph at lines 788--788 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 825 [][][] Underfull \hbox (badness 10000) detected at line 828 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 837--837 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [287] [288] Underfull \hbox (badness 10000) detected at line 907 [][][] Underfull \hbox (badness 10000) detected at line 910 [][][] [289] [290] [291] Underfull \hbox (badness 10000) detected at line 1050 [][][] Underfull \hbox (badness 10000) detected at line 1053 [][][] [292] [293] [294] Underfull \hbox (badness 10000) detected at line 1229 [][][] Underfull \hbox (badness 10000) detected at line 1232 [][][] [295] [296] Underfull \hbox (badness 10000) detected at line 1382 [][][] Underfull \hbox (badness 10000) detected at line 1385 [][][] Underfull \hbox (badness 10000) detected at line 1388 [][][] [297] [298] Underfull \hbox (badness 10000) detected at line 1446 [][][] Underfull \hbox (badness 10000) detected at line 1449 [][][] Underfull \hbox (badness 10000) detected at line 1452 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1462--1462 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1499 [][][] Underfull \hbox (badness 10000) detected at line 1502 [][][] [299] [300] Underfull \hbox (badness 10000) detected at line 1582 [][][] Underfull \hbox (badness 10000) detected at line 1585 [][][] Underfull \hbox (badness 10000) detected at line 1588 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1598--1598 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1635 [][][] Underfull \hbox (badness 10000) detected at line 1638 [][][] [301] Underfull \hbox (badness 10000) detected at line 1641 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1650--1650 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Overfull \vbox (9.44278pt too high) has occurred while \output is active [302] Underfull \hbox (badness 10000) detected at line 1728 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] Underfull \hbox (badness 10000) detected at line 1736 [][][] Underfull \hbox (badness 10000) detected at line 1766 [][][] Underfull \hbox (badness 10000) detected at line 1769 [][][] [303] Underfull \hbox (badness 10000) detected at line 1803 [][][] Underfull \hbox (badness 10000) detected at line 1806 [][][] [304] Underfull \hbox (badness 10000) detected at line 1840 [][][] Underfull \hbox (badness 10000) detected at line 1843 [][][] Underfull \hbox (badness 10000) detected at line 1877 [][][] Underfull \hbox (badness 10000) detected at line 1880 [][][] [305] Underfull \hbox (badness 10000) detected at line 1883 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 1893--1893 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 1930 [][][] Underfull \hbox (badness 10000) detected at line 1933 [][][] Underfull \hbox (badness 10000) detected at line 1936 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 1945--1945 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [306] [307] Underfull \hbox (badness 10000) detected at line 2031 [][][] Underfull \hbox (badness 10000) detected at line 2034 [][][] Underfull \hbox (badness 10000) detected at line 2068 [][][] Underfull \hbox (badness 10000) detected at line 2071 [][][] Underfull \hbox (badness 10000) detected at line 2074 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2084--2084 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [308] Underfull \hbox (badness 10000) detected at line 2121 [][][] Underfull \hbox (badness 10000) detected at line 2124 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2133--2133 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [309] Underfull \hbox (badness 10000) detected at line 2168 [][][] Underfull \hbox (badness 10000) detected at line 2171 [][][] Underfull \hbox (badness 10000) detected at line 2203 [][][] [310] Underfull \hbox (badness 10000) detected at line 2206 [][][] Underfull \hbox (badness 10000) detected at line 2242 [][][] Underfull \hbox (badness 10000) detected at line 2245 [][][] [311] Underfull \hbox (badness 10000) detected at line 2281 [][][] Underfull \hbox (badness 10000) detected at line 2284 [][][] [312] Underfull \hbox (badness 10000) detected at line 2312 [][][] Underfull \hbox (badness 10000) detected at line 2315 [][][] Underfull \hbox (badness 10000) detected at line 2318 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2328--2328 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [313] Underfull \hbox (badness 10000) detected at line 2365 [][][] Underfull \hbox (badness 10000) detected at line 2368 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2377--2377 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2412 [][][] Underfull \hbox (badness 10000) detected at line 2415 [][][] [314] [315] Underfull \hbox (badness 10000) detected at line 2501 [][][] Underfull \hbox (badness 10000) detected at line 2504 [][][] Underfull \hbox (badness 10000) detected at line 2507 [][][] [316] Underfull \hbox (badness 10000) detected at line 2555 [][][] Underfull \hbox (badness 10000) detected at line 2558 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2567--2567 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [317] Underfull \hbox (badness 10000) detected at line 2602 [][][] Underfull \hbox (badness 10000) detected at line 2605 [][][] [318] Underfull \hbox (badness 10000) detected at line 2695 [][][] Underfull \hbox (badness 10000) detected at line 2698 [][][] [319] Underfull \hbox (badness 10000) detected at line 2744 [][][] Underfull \hbox (badness 10000) detected at line 2747 [][][] Underfull \hbox (badness 10000) detected at line 2750 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 2760--2760 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [320] Underfull \hbox (badness 10000) detected at line 2797 [][][] Underfull \hbox (badness 10000) detected at line 2800 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 2809--2809 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 2844 [][][] Underfull \hbox (badness 10000) detected at line 2847 [][][] [321] Underfull \hbox (badness 10000) detected at line 2903 [][][] Underfull \hbox (badness 10000) detected at line 2906 [][][] Overfull \vbox (18.98318pt too high) has occurred while \output is active [322] Underfull \hbox (badness 10000) detected at line 2944 [][][] Underfull \hbox (badness 10000) detected at line 2955 [][][] [323] Underfull \hbox (badness 10000) detected at line 2958 [][][] [324] Underfull \hbox (badness 10000) detected at line 3044 [][][] Underfull \hbox (badness 10000) detected at line 3047 [][][] Underfull \hbox (badness 10000) detected at line 3050 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3060--3060 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 3097 [][][] Underfull \hbox (badness 10000) detected at line 3100 [][][] [325] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3109--3109 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 3144 [][][] Underfull \hbox (badness 10000) detected at line 3147 [][][] [326] Underfull \hbox (badness 10000) detected at line 3185 [][][] Underfull \hbox (badness 10000) detected at line 3188 [][][] Underfull \hbox (badness 10000) detected at line 3191 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3201--3201 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [327] Underfull \hbox (badness 10000) detected at line 3238 [][][] Underfull \hbox (badness 10000) detected at line 3241 [][][] Underfull \hbox (badness 10000) detected at line 3244 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3253--3253 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [328] Underfull \hbox (badness 10000) detected at line 3286 [][][] [329] Underfull \hbox (badness 10000) detected at line 3340 [][][] [330] [331] Underfull \hbox (badness 10000) detected at line 3482 [][][] [332] Underfull \hbox (badness 10000) detected at line 3540 [][][] Underfull \hbox (badness 10000) detected at line 3543 [][][] [333] Underfull \hbox (badness 10000) detected at line 3583 [][][] Underfull \hbox (badness 10000) detected at line 3586 [][][] Underfull \hbox (badness 10000) detected at line 3589 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3599--3599 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [334] Underfull \hbox (badness 10000) detected at line 3636 [][][] Underfull \hbox (badness 10000) detected at line 3639 [][][] Underfull \hbox (badness 10000) detected at line 3642 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 3651--3651 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [335] Underfull \hbox (badness 10000) detected at line 3700 [][][] Underfull \hbox (badness 10000) detected at line 3703 [][][] [336] [337] Underfull \hbox (badness 10000) detected at line 3787 [][][] Underfull \hbox (badness 10000) detected at line 3790 [][][] [338] Underfull \hbox (badness 10000) detected at line 3888 [][][] Underfull \hbox (badness 10000) detected at line 3891 [][][] Underfull \hbox (badness 10000) detected at line 3894 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 3904--3904 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [339] Underfull \hbox (badness 10000) detected at line 3941 [][][] Underfull \hbox (badness 10000) detected at line 3944 [][][] Underfull \hbox (badness 10000) detected at line 3970 [][][] Underfull \hbox (badness 10000) detected at line 3973 [][][] [340] Underfull \hbox (badness 10000) detected at line 3999 [][][] Underfull \hbox (badness 10000) detected at line 4002 [][][] [341] Underfull \hbox (badness 10000) detected at line 4032 [][][] Underfull \hbox (badness 10000) detected at line 4035 [][][] Underfull \hbox (badness 10000) detected at line 4038 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4048--4048 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] Underfull \hbox (badness 10000) detected at line 4085 [][][] [342] Underfull \hbox (badness 10000) detected at line 4088 [][][] Underfull \hbox (badness 10000) detected at line 4091 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4100--4100 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] Underfull \hbox (badness 10000) detected at line 4135 [][][] Underfull \hbox (badness 10000) detected at line 4138 [][][] [343] Underfull \hbox (badness 10000) detected at line 4192 [][][] [344] Underfull \hbox (badness 10000) detected at line 4214 [][][] Overfull \vbox (38.14133pt too high) has occurred while \output is active [345] Underfull \hbox (badness 10000) detected at line 4288 [][][] Underfull \hbox (badness 10000) detected at line 4291 [][][] [346] [347] Underfull \hbox (badness 10000) detected at line 4381 [][][] Underfull \hbox (badness 10000) detected at line 4384 [][][] Underfull \hbox (badness 10000) detected at line 4424 [][][] Underfull \hbox (badness 10000) detected at line 4427 [][][] [348] Underfull \hbox (badness 10000) detected at line 4469 [][][] Underfull \hbox (badness 10000) detected at line 4472 [][][] [349] Underfull \hbox (badness 10000) detected at line 4530 [][][] Underfull \hbox (badness 10000) detected at line 4533 [][][] Underfull \hbox (badness 10000) detected at line 4536 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4546--4546 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [350] Underfull \hbox (badness 10000) detected at line 4583 [][][] Underfull \hbox (badness 10000) detected at line 4586 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4595--4595 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [351] Underfull \hbox (badness 10000) detected at line 4628 [][][] Underfull \hbox (badness 10000) detected at line 4631 [][][] Underfull \hbox (badness 10000) detected at line 4634 [][][] [352] Underfull \hbox (badness 10000) detected at line 4690 [][][] Underfull \hbox (badness 10000) detected at line 4693 [][][] Underfull \hbox (badness 10000) detected at line 4725 [][][] Underfull \hbox (badness 10000) detected at line 4728 [][][] [353] Underfull \hbox (badness 10000) detected at line 4766 [][][] Underfull \hbox (badness 10000) detected at line 4769 [][][] Underfull \hbox (badness 10000) detected at line 4772 [][][] Overfull \hbox (20.88268pt too wide) in paragraph at lines 4782--4782 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute,[] [354] Underfull \hbox (badness 10000) detected at line 4820 [][][] Underfull \hbox (badness 10000) detected at line 4823 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 4832--4832 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [355] Underfull \hbox (badness 10000) detected at line 4867 [][][] Underfull \hbox (badness 10000) detected at line 4870 [][][] [356] Underfull \hbox (badness 10000) detected at line 4928 [][][] Underfull \hbox (badness 10000) detected at line 4931 [][][] Underfull \hbox (badness 10000) detected at line 4963 [][][] Underfull \hbox (badness 10000) detected at line 4966 [][][] Underfull \hbox (badness 10000) detected at line 4969 [][][] Overfull \hbox (304.08286pt too wide) in paragraph at lines 4979--4979 []\T1/pcr/m/n/8 * Developed at the Pacific Northwest National Laboratory, oper ated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. De partment Energy.[] [357] Underfull \hbox (badness 10000) detected at line 5016 [][][] Underfull \hbox (badness 10000) detected at line 5019 [][][] Underfull \hbox (badness 10000) detected at line 5022 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 5031--5031 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [358] Underfull \hbox (badness 10000) detected at line 5066 [][][] Underfull \hbox (badness 10000) detected at line 5069 [][][] Underfull \hbox (badness 10000) detected at line 5099 [][][] Underfull \hbox (badness 10000) detected at line 5102 [][][] Underfull \hbox (badness 10000) detected at line 5105 [][][] [359] Underfull \hbox (badness 10000) detected at line 5135 [][][] Underfull \hbox (badness 10000) detected at line 5138 [][][] Underfull \hbox (badness 10000) detected at line 5168 [][][] [360] Underfull \hbox (badness 10000) detected at line 5171 [][][] Underfull \hbox (badness 10000) detected at line 5201 [][][] Underfull \hbox (badness 10000) detected at line 5204 [][][] Underfull \hbox (badness 10000) detected at line 5232 [][][] [361] Underfull \hbox (badness 10000) detected at line 5235 [][][] Underfull \hbox (badness 10000) detected at line 5263 [][][] Underfull \hbox (badness 10000) detected at line 5266 [][][] ) (./group___frontend.tex [362] Underfull \hbox (badness 2495) in paragraph at lines 32--33 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Overfull \hbox (16.65858pt too wide) in paragraph at lines 40--41 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 42--43 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 60--61 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 60--61 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [363] Underfull \hbox (badness 5817) in paragraph at lines 78--79 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 80--81 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [364] [365] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 211 [][][] [366] Underfull \hbox (badness 10000) detected at line 235 [][][] [367] Underfull \hbox (badness 10000) detected at line 275 [][][] Underfull \hbox (badness 10000) detected at line 297 [][][] Underfull \hbox (badness 10000) detected at line 314 [][][] Underfull \hbox (badness 10000) detected at line 317 [][][] [368] Underfull \hbox (badness 10000) detected at line 351 [][][] Underfull \hbox (badness 10000) detected at line 373 [][][] Underfull \hbox (badness 10000) detected at line 390 [][][] Underfull \hbox (badness 10000) detected at line 393 [][][] [369] [370] Underfull \hbox (badness 10000) detected at line 495 [][][] Underfull \hbox (badness 10000) detected at line 502 [][][] [371] Underfull \hbox (badness 10000) detected at line 572 [][][] Underfull \hbox (badness 10000) detected at line 575 [][][] [372] Underfull \hbox (badness 10000) detected at line 625 [][][] Underfull \hbox (badness 10000) detected at line 649 [][][] Underfull \hbox (badness 10000) detected at line 677 [][][] [373] Underfull \hbox (badness 10000) detected at line 694 [][][] Underfull \hbox (badness 10000) detected at line 720 [][][] Underfull \hbox (badness 10000) detected at line 748 [][][] [374] Underfull \hbox (badness 10000) detected at line 772 [][][] Underfull \hbox (badness 10000) detected at line 792 [][][] Underfull \hbox (badness 10000) detected at line 818 [][][] [375] Underfull \hbox (badness 10000) detected at line 842 [][][] Underfull \hbox (badness 10000) detected at line 866 [][][] Underfull \hbox (badness 10000) detected at line 876 [][][] Underfull \hbox (badness 10000) detected at line 895 [][][] [376] Underfull \hbox (badness 10000) detected at line 909 [][][] Underfull \hbox (badness 10000) detected at line 912 [][][] Underfull \hbox (badness 10000) detected at line 929 [][][] Underfull \hbox (badness 10000) detected at line 939 [][][] Underfull \hbox (badness 10000) detected at line 958 [][][] Underfull \hbox (badness 10000) detected at line 961 [][][] [377] Underfull \hbox (badness 10000) detected at line 981 [][][] Underfull \hbox (badness 10000) detected at line 984 [][][] Underfull \hbox (badness 10000) detected at line 1010 [][][] Underfull \hbox (badness 10000) detected at line 1013 [][][] [378] Underfull \hbox (badness 10000) detected at line 1035 [][][] Underfull \hbox (badness 10000) detected at line 1045 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1067 [][][] Underfull \hbox (badness 10000) detected at line 1091 [][][] [379] Underfull \hbox (badness 10000) detected at line 1105 [][][] Underfull \hbox (badness 10000) detected at line 1122 [][][] Underfull \hbox (badness 10000) detected at line 1134 [][][] Underfull \hbox (badness 10000) in paragraph at lines 1135--1136 Underfull \hbox (badness 10000) detected at line 1138 [][][] [380] Underfull \hbox (badness 10000) detected at line 1166 [][][] Underfull \hbox (badness 10000) detected at line 1180 [][][] Underfull \hbox (badness 10000) detected at line 1201 [][][] Underfull \hbox (badness 10000) detected at line 1204 [][][] [381] Underfull \hbox (badness 10000) detected at line 1228 [][][] Underfull \hbox (badness 10000) detected at line 1231 [][][] Underfull \hbox (badness 10000) detected at line 1259 [][][] Underfull \hbox (badness 10000) detected at line 1262 [][][] [382] Underfull \hbox (badness 10000) detected at line 1288 [][][] Underfull \hbox (badness 10000) detected at line 1291 [][][] Underfull \hbox (badness 10000) detected at line 1319 [][][] Underfull \hbox (badness 10000) detected at line 1322 [][][] [383] Underfull \hbox (badness 10000) detected at line 1348 [][][] Underfull \hbox (badness 10000) detected at line 1377 [][][] Underfull \hbox (badness 10000) detected at line 1380 [][][] Underfull \hbox (badness 10000) detected at line 1408 [][][] [384] Underfull \hbox (badness 10000) detected at line 1432 [][][] Underfull \hbox (badness 10000) detected at line 1454 [][][] Underfull \hbox (badness 10000) detected at line 1468 [][][] [385] Underfull \hbox (badness 10000) detected at line 1485 [][][] Underfull \hbox (badness 10000) detected at line 1497 [][][] Underfull \hbox (badness 10000) detected at line 1514 [][][] Underfull \hbox (badness 10000) detected at line 1528 [][][] [386] Underfull \hbox (badness 10000) detected at line 1562 [][][] Underfull \hbox (badness 10000) detected at line 1574 [][][] Underfull \hbox (badness 10000) detected at line 1591 [][][] Underfull \hbox (badness 10000) detected at line 1608 [][][] [387] Underfull \hbox (badness 10000) detected at line 1636 [][][] Underfull \hbox (badness 10000) detected at line 1650 [][][] [388] Underfull \hbox (badness 10000) detected at line 1688 [][][] Underfull \hbox (badness 10000) detected at line 1716 [][][] Underfull \hbox (badness 10000) detected at line 1733 [][][] [389] Underfull \hbox (badness 10000) detected at line 1747 [][][] Underfull \hbox (badness 10000) detected at line 1764 [][][] Underfull \hbox (badness 10000) detected at line 1792 [][][] [390] Underfull \hbox (badness 10000) detected at line 1809 [][][] Underfull \hbox (badness 10000) detected at line 1823 [][][] ) [391] [392] Chapter 8. (./struct_atom_force.tex Underfull \hbox (badness 10000) detected at line 32 [][][] [393]) (./structs_a_p_o_lparm.tex [394] Underfull \hbox (badness 10000) detected at line 88 [][][] [395] Underfull \hbox (badness 10000) detected at line 224 [][][] [396] Underfull \hbox (badness 10000) detected at line 237 [][][] Underfull \hbox (badness 10000) detected at line 250 [][][] Underfull \hbox (badness 10000) detected at line 263 [][][] Underfull \hbox (badness 10000) detected at line 276 [][][] Underfull \hbox (badness 10000) detected at line 289 [][][] Underfull \hbox (badness 10000) detected at line 302 [][][] [397] Underfull \hbox (badness 10000) detected at line 315 [][][] Underfull \hbox (badness 10000) detected at line 328 [][][] Underfull \hbox (badness 10000) detected at line 341 [][][] Underfull \hbox (badness 10000) detected at line 354 [][][] Underfull \hbox (badness 10000) detected at line 367 [][][] Underfull \hbox (badness 10000) detected at line 380 [][][] [398]) (./structs_b_e_mparm.tex [399] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] [400] Underfull \hbox (badness 10000) detected at line 129 [][][] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 155 [][][] [401] Underfull \hbox (badness 10000) detected at line 168 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 194 [][][] ) (./structs_f_e_mparm.tex [402] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) in paragraph at lines 84--85 [403] [404] [405]) (./structs_g_e_o_f_l_o_wparm.tex Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] [406]) (./structs_m_gparm.tex [407] Underfull \hbox (badness 10000) detected at line 120 [][][] Underfull \hbox (badness 10000) detected at line 123 [][][] [408] Underfull \hbox (badness 10000) in paragraph at lines 149--150 Underfull \hbox (badness 10000) in paragraph at lines 180--181 [409] Underfull \hbox (badness 10000) in paragraph at lines 261--262 [410] [411] Underfull \hbox (badness 10000) detected at line 434 [][][] Underfull \hbox (badness 10000) detected at line 447 [][][] Underfull \hbox (badness 10000) detected at line 460 [][][] Underfull \hbox (badness 10000) detected at line 473 [][][] [412] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] [413] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [414] Underfull \hbox (badness 10000) detected at line 642 [][][] Underfull \hbox (badness 10000) detected at line 655 [][][] Underfull \hbox (badness 10000) detected at line 668 [][][] ) (./structs_n_osh.tex [415] Underfull \hbox (badness 10000) detected at line 108 [][][] [416] [417] [418] [419] [420]) (./structs_n_osh__calc.tex [421] Underfull \hbox (badness 10000) detected at line 38 [][][] [422]) (./structs_p_b_a_mparm.tex [423] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] [424] [425] [426] [427]) (./structs_p_b_eparm.tex [428] [429] Underfull \hbox (badness 10000) detected at line 142 [][][] Underfull \hbox (badness 10000) detected at line 145 [][][] [430] [431] [432] Underfull \hbox (badness 10000) detected at line 391 [][][] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 417 [][][] Underfull \hbox (badness 10000) detected at line 430 [][][] [433] Underfull \hbox (badness 10000) detected at line 473 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] Underfull \hbox (badness 10000) detected at line 499 [][][] Underfull \hbox (badness 10000) detected at line 512 [][][] Underfull \hbox (badness 10000) detected at line 525 [][][] [434] Underfull \hbox (badness 10000) detected at line 538 [][][] Underfull \hbox (badness 10000) detected at line 551 [][][] Underfull \hbox (badness 10000) detected at line 564 [][][] Underfull \hbox (badness 10000) detected at line 577 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 603 [][][] [435] Underfull \hbox (badness 10000) detected at line 616 [][][] Underfull \hbox (badness 10000) detected at line 629 [][][] [436] [437]) (./structs_p_b_s_a_mparm.tex [438] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [439]) (./structs_vacc.tex [440] Underfull \hbox (badness 10000) detected at line 36 [][][] [441]) (./structs_vacc_surf.tex Underfull \hbox (badness 10000) detected at line 36 [][][] [442]) (./structs_valist.tex [443] Underfull \hbox (badness 10000) detected at line 36 [][][] [444]) (./structs_vatom.tex Underfull \hbox (badness 10000) detected at line 36 [][][] Underfull \hbox (badness 10000) in paragraph at lines 62--63 [445] Underfull \hbox (badness 10000) in paragraph at lines 93--94 Underfull \hbox (badness 10000) in paragraph at lines 114--115 ) (./structs_vclist.tex [446] Underfull \hbox (badness 10000) detected at line 40 [][][] [447]) (./structs_vclist_cell.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vcsm.tex [448] Underfull \hbox (badness 10000) detected at line 42 [][][] [449]) (./structs_vfetk.tex [450] Underfull \hbox (badness 10000) detected at line 60 [][][] [451] Underfull \hbox (badness 10000) in paragraph at lines 116--117 [452]) (./structs_vfetk___local_var.tex [453] Underfull \hbox (badness 10000) detected at line 86 [][][] [454] [455] [456] [457]) (./structs_vgreen.tex Underfull \hbox (badness 10000) detected at line 34 [][][] [458]) (./structs_vgrid.tex [459] Underfull \hbox (badness 10000) detected at line 52 [][][] [460] [461]) (./structs_vmgrid.tex Underfull \hbox (badness 10000) detected at line 24 [][][] ) (./structs_vopot.tex [462] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./structs_vparam___atom_data.tex [463] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] ) (./structs_vpbe.tex [464] Underfull \hbox (badness 10000) detected at line 86 [][][] [465] [466] [467] [468]) (./structs_vpee.tex [469] Underfull \hbox (badness 10000) detected at line 34 [][][] ) (./structs_vpmg.tex [470] [471] Underfull \hbox (badness 10000) detected at line 116 [][][] [472] [473] [474] [475] [476]) (./structs_vpmgp.tex [477] Underfull \hbox (badness 10000) detected at line 126 [][][] [478] Underfull \hbox (badness 10000) in paragraph at lines 164--165 Underfull \hbox (badness 10000) in paragraph at lines 175--176 Underfull \hbox (badness 10000) in paragraph at lines 186--187 [479] Underfull \hbox (badness 10000) in paragraph at lines 234--235 [480] [481] [482] [483] Underfull \hbox (badness 10000) in paragraph at lines 506--507 Underfull \hbox (badness 10000) in paragraph at lines 527--528 [484] Underfull \hbox (badness 10000) in paragraph at lines 548--549 Underfull \hbox (badness 10000) in paragraph at lines 589--590 [485] Underfull \hbox (badness 10000) in paragraph at lines 630--631 Underfull \hbox (badness 10000) in paragraph at lines 671--672 ) (./struct_vparam.tex [486] Underfull \hbox (badness 10000) detected at line 26 [][][] ) (./struct_vparam___res_data.tex [487] Underfull \hbox (badness 10000) detected at line 28 [][][] ) [488] Chapter 9. (./mainpage_8h_source.tex) (./apbs_8h.tex <./apbs_8h__incl.pdf> <./apbs_8h__dep __incl.pdf> [489] Underfull \hbox (badness 10000) detected at line 50 [][][] Underfull \hbox (badness 10000) detected at line 53 [][][] Underfull \hbox (badness 10000) detected at line 56 [][][] [490]) (./apbs_8h_source.tex) (./vcsm_8c.tex [491] <./vcsm_8c__incl.pdf> [492] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] [493]) (./vcsm_8c_source.tex [494] [495] [496] [497] [498] [499]) (./vcsm_8h.tex <./vcsm_8h__incl.pdf> <./vcsm_8h__dep__incl.pdf> [500] [501] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [502]) (./vcsm_8h_source.tex [503]) (./vfetk_8c.tex [504] <./vfetk_8c__incl.pdf > [505] [506] Underfull \hbox (badness 10000) detected at line 162 [][][] Underfull \hbox (badness 10000) detected at line 165 [][][] [507] Underfull \hbox (badness 10000) detected at line 168 [][][] [508] [509] [510] [511]) (./vfetk_8c_source.tex [512] [513] [514] [515] [516] [517] [518] [519] [520] [521] [522] [523] [524] [525] [526] [527] [528] [529] [530] [531] [532] [533] [534] [535] [536] [537] [538] [539] [540] [541]) (./vfetk_8h.tex [542] <./vfetk_8h__incl.pdf> <./vfetk_8h__dep__inc l.pdf> [543] [544] [545] Underfull \hbox (badness 10000) detected at line 187 [][][] [546] Underfull \hbox (badness 10000) detected at line 190 [][][] Underfull \hbox (badness 10000) detected at line 193 [][][] ) (./vfetk_8h_source.tex [547] [548] [549] [550] [551] [552]) (./vpee_8c.tex <. /vpee_8c__incl.pdf> [553] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] Underfull \hbox (badness 10000) detected at line 55 [][][] [554]) (./vpee_8c_source.tex [555] [556] [557] [558] [559] [560]) (./vpee_8h.tex [561] <./vpee_8h__incl.pdf> <./vpee_8h__dep__incl.pdf> [562] Underfull \hbox (badness 10000) detected at line 55 [][][] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] [563]) (./vpee_8h_source.tex [564]) (./apolparm_8c.tex <./apolparm_8c__incl.pdf > [565] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [566] [567]) (./apolparm_8c_source.tex [568] [569] [570] [571] [572] [573] [574] [575]) (./apolparm_8h_source.tex [576]) (./bemparm_8c.tex <./bemparm_8c__ incl.pdf> [577] [578] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [579] Underfull \hbox (badness 10000) detected at line 120 [][][] ) (./bemparm_8c_source.tex [580] [581] [582] [583]) (./bemparm_8h_source.tex [584]) (./femparm_8c.tex <./femparm_8c__incl.pdf> [585] [586] Underfull \hbox (badness 10000) detected at line 58 [][][] Underfull \hbox (badness 10000) detected at line 61 [][][] Underfull \hbox (badness 10000) detected at line 64 [][][] [587] [588]) (./femparm_8c_source.tex [589] [590] [591] [592] [593]) (./femparm_8h.tex <./femparm_8h__incl.pdf> [594] <./femparm_8h__dep__incl.pdf> [595] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] Underfull \hbox (badness 10000) detected at line 93 [][][] [596]) (./femparm_8h_source.tex [597]) (./geoflowparm_8c.tex [598] <./geoflowpa rm_8c__incl.pdf> [599] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 52 [][][] [600]) (./geoflowparm_8c_source.tex [601] [602]) (./geoflowparm_8h.tex [603] <. /geoflowparm_8h__incl.pdf> <./geoflowparm_8h__dep__incl.pdf> [604] [605] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [606]) (./geoflowparm_8h_source.tex [607]) (./mgparm_8c.tex <./mgparm_8c__incl. pdf> [608] [609] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [610] [611]) (./mgparm_8c_source.tex [612] [613] [614] [615] [616] [617] [618] [619] [620] [621] [622] [623]) (./mgparm_8h.tex <./mgparm_8h__incl.pdf> [624] <./mgparm_8h__dep__incl.pdf> [625] [626] Underfull \hbox (badness 10000) detected at line 102 [][][] Underfull \hbox (badness 10000) detected at line 105 [][][] Underfull \hbox (badness 10000) detected at line 108 [][][] [627]) (./mgparm_8h_source.tex [628]) (./nosh_8c.tex <./nosh_8c__incl.pdf> [629] [630] [631] Underfull \hbox (badness 10000) detected at line 150 [][][] Underfull \hbox (badness 10000) detected at line 153 [][][] Underfull \hbox (badness 10000) detected at line 156 [][][] [632] [633] [634] [635] [636]) (./nosh_8c_source.tex [637] [638] [639] [640] [641] [642] [643] [644] [645] [646] [647] [648] [649] [650] [651] [652] [653] [654] [655] [656] [657] [658] [659] [660] [661] [662] [663] [664] [665] [666] [667] [668] [669] [670] [671] [672] [673] [674] [675] [676]) (./nosh_8h.tex <./nosh_8h__incl.pdf> [677] <./nosh_8h__dep__incl.pdf> [678] [679] [680] Underfull \hbox (badness 10000) detected at line 169 [][][] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] ) (./nosh_8h_source.tex [681] [682] [683]) (./pbamparm_8c.tex <./pbamparm_8c__i ncl.pdf> [684] [685] Underfull \hbox (badness 10000) detected at line 68 [][][] Underfull \hbox (badness 10000) detected at line 71 [][][] Underfull \hbox (badness 10000) detected at line 74 [][][] [686]) (./pbamparm_8c_source.tex [687] [688] [689] [690] [691] [692] [693] [694] [695]) (./pbamparm_8h.tex <./pbamparm_8h__incl.pdf> <./pbamparm_8h__dep__ incl.pdf> [696] [697] Underfull \hbox (badness 10000) detected at line 100 [][][] [698] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [699]) (./pbamparm_8h_source.tex [700]) (./pbeparm_8c.tex [701] <./pbeparm_8c__ incl.pdf> [702] Underfull \hbox (badness 10000) detected at line 100 [][][] Underfull \hbox (badness 10000) detected at line 103 [][][] Underfull \hbox (badness 10000) detected at line 106 [][][] [703] [704] [705] [706] [707]) (./pbeparm_8c_source.tex [708] [709] [710] [711] [712] [713] [714] [715] [716] [717] [718] [719] [720] [721] [722]) (./pbeparm_8h.tex <./pbeparm_8h__incl.pdf> [723] <./pbeparm_8h__dep__incl.pdf> [724] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [725]) (./pbeparm_8h_source.tex [726] [727]) (./pbsamparm_8c.tex <./pbsamparm_8 c__incl.pdf> [728] [729] Underfull \hbox (badness 10000) detected at line 48 [][][] Underfull \hbox (badness 10000) detected at line 51 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] [730]) (./pbsamparm_8c_source.tex [731] [732]) (./pbsamparm_8h.tex [733] <./pbs amparm_8h__incl.pdf> <./pbsamparm_8h__dep__incl.pdf> [734] [735] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] Underfull \hbox (badness 10000) detected at line 90 [][][] [736]) (./pbsamparm_8h_source.tex [737]) (./vacc_8c.tex <./vacc_8c__incl.pdf> [738] [739] [740] Underfull \hbox (badness 10000) detected at line 106 [][][] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] [741] Underfull \hbox (badness 10000) detected at line 178 [][][] Underfull \hbox (badness 10000) detected at line 181 [][][] Underfull \hbox (badness 10000) detected at line 207 [][][] Underfull \hbox (badness 10000) detected at line 210 [][][] [742] [743]) (./vacc_8c_source.tex [744] [745] [746] [747] [748] [749] [750] [751] [752] [753] [754] [755] [756] [757] [758] [759] [760] [761] [762] [763] [764] [765] [766]) (./vacc_8h.tex <./vacc_8h__incl.pdf> <./vacc_8h__dep__ incl.pdf> [767] [768] [769] Underfull \hbox (badness 10000) detected at line 121 [][][] Underfull \hbox (badness 10000) detected at line 124 [][][] Underfull \hbox (badness 10000) detected at line 127 [][][] [770]) (./vacc_8h_source.tex [771] [772] [773]) (./valist_8c.tex <./valist_8c__ incl.pdf> [774] [775] Underfull \hbox (badness 2293) in paragraph at lines 53--55 []\T1/phv/m/n/10 VPRIVATE Vrc[]_[][]Codes [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/ m/n/10 thee, Vio $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 sock, int $\OMS/cmsy/m/n/ 10 ^^C$\T1/phv/m/n/10 serial, char atom[] Underfull \hbox (badness 10000) detected at line 81 [][][] Underfull \hbox (badness 10000) detected at line 84 [][][] Underfull \hbox (badness 10000) detected at line 87 [][][] [776] [777] [778]) (./valist_8c_source.tex [779] [780] [781] [782] [783] [784] [785] [786] [787] [788]) (./valist_8h.tex [789] <./valist_8h__incl.pdf> < ./valist_8h__dep__incl.pdf> [790] Underfull \hbox (badness 10000) detected at line 75 [][][] Underfull \hbox (badness 10000) detected at line 78 [][][] Underfull \hbox (badness 10000) detected at line 81 [][][] [791]) (./valist_8h_source.tex [792] [793]) (./vatom_8c.tex <./vatom_8c__incl.p df> [794] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] Underfull \hbox (badness 10000) detected at line 76 [][][] [795]) (./vatom_8c_source.tex [796] [797] [798]) (./vatom_8h.tex <./vatom_8h__i ncl.pdf> [799] <./vatom_8h__dep__incl.pdf> [800] [801] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] ) (./vatom_8h_source.tex [802] [803]) (./vcap_8c.tex <./vcap_8c__incl.pdf> [804] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] [805]) (./vcap_8c_source.tex [806]) (./vcap_8h.tex <./vcap_8h__incl.pdf> <./vca p_8h__dep__incl.pdf> [807] Underfull \hbox (badness 10000) detected at line 45 [][][] Underfull \hbox (badness 10000) detected at line 48 [][][] [808] Underfull \hbox (badness 10000) detected at line 51 [][][] ) (./vcap_8h_source.tex [809]) (./vclist_8c.tex <./vclist_8c__incl.pdf> Underfull \hbox (badness 4060) in paragraph at lines 31--33 []\T1/phv/m/n/10 VPRIVATE void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 thee , dou-ble lower[]_[]corner[][][], dou-ble upper[]_[] [810] Underfull \hbox (badness 10000) detected at line 64 [][][] Underfull \hbox (badness 10000) detected at line 67 [][][] Underfull \hbox (badness 10000) detected at line 70 [][][] [811] [812]) (./vclist_8c_source.tex [813] [814] [815] [816] [817]) (./vclist_8h.tex [818] <./vclist_8h__incl.pdf> <./vclist_8h__dep__incl.pdf> [819] [820] Underfull \hbox (badness 10000) detected at line 82 [][][] Underfull \hbox (badness 10000) detected at line 85 [][][] Underfull \hbox (badness 10000) detected at line 88 [][][] [821]) (./vclist_8h_source.tex [822]) (./vgreen_8c.tex [823] <./vgreen_8c__incl .pdf> [824] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] Underfull \hbox (badness 10000) detected at line 60 [][][] [825]) (./vgreen_8c_source.tex [826] [827] [828] [829] [830] [831]) (./vgreen_8h.tex <./vgreen_8h__incl.pdf> [832] <./vgreen_8h__dep__incl.pdf> [833] Underfull \hbox (badness 10000) detected at line 70 [][][] Underfull \hbox (badness 10000) detected at line 73 [][][] ) (./vgreen_8h_source.tex [834]) (./vhal_8h.tex [835] <./vhal_8h__incl.pdf> <./ vhal_8h__dep__incl.pdf> [836] [837] [838] [839] Underfull \hbox (badness 10000) detected at line 301 [][][] Underfull \hbox (badness 10000) detected at line 304 [][][] Underfull \hbox (badness 10000) detected at line 307 [][][] Overfull \hbox (1744.08377pt too wide) in paragraph at lines 316--316 []\T1/pcr/m/n/8 * Copyright (c) 2010-2020 Battelle Memorial Institute. Develop ed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyrig ht (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regen ts of the University of California. Portions Copyright (c) 1995, Michael Holst. [] [840] [841] [842] [843] [844] [845] [846]) (./vhal_8h_source.tex [847] [848] [849] [850] [851] [852] [853] [854]) (./vmatrix_8h.tex [855] <./vmatrix_8h__dep __incl.pdf> Underfull \hbox (badness 10000) detected at line 35 [][][] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] [856] [857]) (./vmatrix_8h_source.tex [858]) (./vparam_8c.tex <./vparam_8c__inc l.pdf> [859] Underfull \hbox (badness 10000) detected at line 77 [][][] Underfull \hbox (badness 10000) detected at line 80 [][][] [860] Underfull \hbox (badness 10000) detected at line 83 [][][] ) (./vparam_8c_source.tex [861] [862] [863] [864] [865] [866] [867] [868]) (./vparam_8h.tex [869] <./vparam_8h__incl.pdf> <./vparam_8h__dep__incl.pdf> [870] [871] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] Underfull \hbox (badness 10000) detected at line 100 [][][] [872]) (./vparam_8h_source.tex [873]) (./vpbe_8c.tex <./vpbe_8c__incl.pdf> [874] [875] Underfull \hbox (badness 10000) detected at line 89 [][][] Underfull \hbox (badness 10000) detected at line 92 [][][] [876] Underfull \hbox (badness 10000) detected at line 95 [][][] ) (./vpbe_8c_source.tex [877] [878] [879] [880] [881] [882] [883]) (./vpbe_8h.tex <./vpbe_8h__incl.pdf> <./vpbe_8h__dep__incl.pdf> [884] [885] Underfull \hbox (badness 10000) detected at line 109 [][][] Underfull \hbox (badness 10000) detected at line 112 [][][] Underfull \hbox (badness 10000) detected at line 115 [][][] [886]) (./vpbe_8h_source.tex [887] [888] [889]) (./vstring_8c.tex <./vstring_8c __incl.pdf> [890] Underfull \hbox (badness 10000) detected at line 30 [][][] Underfull \hbox (badness 10000) detected at line 33 [][][] Underfull \hbox (badness 10000) detected at line 36 [][][] ) (./vstring_8c_source.tex [891] [892] [893]) (./vstring_8h.tex <./vstring_8h__ incl.pdf> <./vstring_8h__dep__incl.pdf> [894] Underfull \hbox (badness 10000) detected at line 39 [][][] Underfull \hbox (badness 10000) detected at line 42 [][][] Underfull \hbox (badness 10000) detected at line 45 [][][] [895]) (./vstring_8h_source.tex) (./vunit_8h.tex <./vunit_8h__dep__incl.pdf> [896] LaTeX Warning: Command \r invalid in math mode on input line 41. Missing character: There is no Å in font cmr9! Underfull \hbox (badness 10000) detected at line 49 [][][] Underfull \hbox (badness 10000) detected at line 54 [][][] Underfull \hbox (badness 10000) detected at line 57 [][][] [897]) (./vunit_8h_source.tex) (./main_8c.tex [898] <./main_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 27 [][][] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] [899]) (./main_8c_source.tex [900] [901] [902] [903] [904] [905] [906] [907] [908] [909] [910]) (./vgrid_8c.tex <./vgrid_8c__incl.pdf> [911] [912] Underfull \hbox (badness 10000) detected at line 83 [][][] Underfull \hbox (badness 10000) detected at line 86 [][][] Underfull \hbox (badness 10000) detected at line 89 [][][] [913] Underfull \hbox (badness 10000) detected at line 168 [][][] [914]) (./vgrid_8c_source.tex [915] [916] [917] [918] [919] [920] [921] [922] [923] [924] [925] [926] [927] [928] [929] [930] [931] [932] [933] [934] [935] [936] [937]) (./vgrid_8h.tex [938] <./vgrid_8h__incl.pdf> <./vgrid_ 8h__dep__incl.pdf> [939] [940] Underfull \hbox (badness 10000) detected at line 91 [][][] [941] Underfull \hbox (badness 10000) detected at line 94 [][][] Underfull \hbox (badness 10000) detected at line 97 [][][] [942] Underfull \hbox (badness 10000) detected at line 163 [][][] ) (./vgrid_8h_source.tex [943]) (./vmgrid_8c.tex [944] <./vmgrid_8c__incl.pdf> [945] Underfull \hbox (badness 10000) detected at line 40 [][][] Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] Overfull \hbox (1024.08331pt too wide) in paragraph at lines 58--58 []\T1/pcr/m/n/8 * Copyright (c) 2010, Pacific Northwest National Laboratory. Portions Copyright (c) 2002-2020, Washington University in St. Louis. Portions Copyright (c) 2002-2010, Nathan A. Baker. Portions Copyright (c) 1999-2020, T he Regents of the University of California. Portions Copyright (c) 1995, Michae l Holst.[] ) (./vmgrid_8c_source.tex [946] [947] [948]) (./vmgrid_8h.tex <./vmgrid_8h__inc l.pdf> <./vmgrid_8h__dep__incl.pdf> [949] [950] Underfull \hbox (badness 10000) detected at line 69 [][][] Underfull \hbox (badness 10000) detected at line 72 [][][] Underfull \hbox (badness 10000) detected at line 75 [][][] [951]) (./vmgrid_8h_source.tex) (./vopot_8c.tex [952] <./vopot_8c__incl.pdf> Underfull \hbox (badness 10000) detected at line 43 [][][] Underfull \hbox (badness 10000) detected at line 46 [][][] Underfull \hbox (badness 10000) detected at line 49 [][][] [953]) (./vopot_8c_source.tex [954] [955] [956] [957] [958]) (./vopot_8h.tex <. /vopot_8h__incl.pdf> <./vopot_8h__dep__incl.pdf> [959] [960] Underfull \hbox (badness 10000) detected at line 63 [][][] Underfull \hbox (badness 10000) detected at line 66 [][][] Underfull \hbox (badness 10000) detected at line 69 [][][] ) (./vopot_8h_source.tex [961]) (./vpmg_8c.tex <./vpmg_8c__incl.pdf> [962] [963] [964] [965] Underfull \hbox (badness 10000) detected at line 172 [][][] Underfull \hbox (badness 10000) detected at line 175 [][][] Underfull \hbox (badness 10000) detected at line 178 [][][] [966] Underfull \hbox (badness 10000) detected at line 260 [][][] [967] Underfull \hbox (badness 10000) detected at line 287 [][][] [968] Underfull \hbox (badness 10000) detected at line 383 [][][] Underfull \hbox (badness 10000) detected at line 386 [][][] Underfull \hbox (badness 10000) detected at line 408 [][][] Underfull \hbox (badness 10000) detected at line 411 [][][] [969] Underfull \hbox (badness 10000) detected at line 433 [][][] Underfull \hbox (badness 10000) detected at line 436 [][][] Underfull \hbox (badness 10000) detected at line 458 [][][] Underfull \hbox (badness 10000) detected at line 461 [][][] Underfull \hbox (badness 10000) detected at line 483 [][][] Underfull \hbox (badness 10000) detected at line 486 [][][] [970] Underfull \hbox (badness 10000) detected at line 508 [][][] Underfull \hbox (badness 10000) detected at line 511 [][][] Underfull \hbox (badness 10000) detected at line 533 [][][] Underfull \hbox (badness 10000) detected at line 536 [][][] Underfull \hbox (badness 10000) detected at line 553 [][][] Underfull \hbox (badness 10000) detected at line 556 [][][] [971] Underfull \hbox (badness 10000) detected at line 573 [][][] Underfull \hbox (badness 10000) detected at line 590 [][][] Underfull \hbox (badness 10000) detected at line 607 [][][] Underfull \hbox (badness 10000) detected at line 624 [][][] Underfull \hbox (badness 10000) detected at line 641 [][][] [972] Underfull \hbox (badness 10000) detected at line 658 [][][] Underfull \hbox (badness 10000) detected at line 675 [][][] Underfull \hbox (badness 10000) detected at line 696 [][][] Underfull \hbox (badness 10000) detected at line 699 [][][] Underfull \hbox (badness 10000) detected at line 716 [][][] [973] Underfull \hbox (badness 10000) detected at line 733 [][][] Underfull \hbox (badness 10000) detected at line 750 [][][] Underfull \hbox (badness 10000) detected at line 767 [][][] Underfull \hbox (badness 10000) detected at line 794 [][][] [974] Underfull \hbox (badness 10000) detected at line 831 [][][] [975] Underfull \hbox (badness 10000) detected at line 875 [][][] [976] Underfull \hbox (badness 10000) detected at line 925 [][][] Underfull \hbox (badness 10000) detected at line 947 [][][] [977] Underfull \hbox (badness 10000) detected at line 969 [][][] Underfull \hbox (badness 10000) detected at line 991 [][][] Underfull \hbox (badness 10000) detected at line 994 [][][] Underfull \hbox (badness 10000) detected at line 1011 [][][] Underfull \hbox (badness 10000) detected at line 1014 [][][] [978] Underfull \hbox (badness 10000) detected at line 1036 [][][] Underfull \hbox (badness 10000) detected at line 1039 [][][] Underfull \hbox (badness 10000) detected at line 1061 [][][] Underfull \hbox (badness 10000) detected at line 1064 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] [979] Underfull \hbox (badness 10000) detected at line 1113 [][][] Underfull \hbox (badness 10000) detected at line 1145 [][][] Underfull \hbox (badness 10000) detected at line 1148 [][][] ) (./vpmg_8c_source.tex [980] [981] [982] [983] [984] [985] [986] [987] [988] [989] [990] [991] [992] [993] [994] [995] [996] [997] [998] [999] [1000] [1001] [1002] [1003] [1004] [1005] [1006] [1007] [1008] [1009] [1010] [1011] [1012] [1013] [1014] [1015] [1016] [1017] [1018] [1019] [1020] [1021] [1022] [1023] [1024] [1025] [1026] [1027] [1028] [1029] [1030] [1031] [1032] [1033] [1034] [1035] [1036] [1037] [1038] [1039] [1040] [1041] [1042] [1043] [1044] [1045] [1046] [1047] [1048] [1049] [1050] [1051] [1052] [1053] [1054] [1055] [1056] [1057] [1058] [1059] [1060] [1061] [1062] [1063] [1064] [1065] [1066] [1067] [1068] [1069] [1070] [1071] [1072] [1073] [1074] [1075] [1076] [1077] [1078] [1079] [1080] [1081] [1082] [1083] [1084] [1085] [1086] [1087] [1088] [1089] [1090] [1091] [1092] [1093] [1094] [1095] [1096] [1097] [1098] [1099] [1100] [1101] [1102] [1103] [1104] [1105] [1106] [1107] [1108] [1109] [1110] [1111] [1112] [1113] [1114] [1115] [1116]) (./vpmg_8h.tex <./vpmg_8h__in cl.pdf> <./vpmg_8h__dep__incl.pdf> [1117] [1118] [1119] [1120] [1121] [1122] Underfull \hbox (badness 10000) detected at line 233 [][][] Underfull \hbox (badness 10000) detected at line 236 [][][] Underfull \hbox (badness 10000) detected at line 239 [][][] [1123] [1124] Underfull \hbox (badness 10000) detected at line 404 [][][] Underfull \hbox (badness 10000) detected at line 421 [][][] [1125] Underfull \hbox (badness 10000) detected at line 467 [][][] Underfull \hbox (badness 10000) detected at line 470 [][][] Underfull \hbox (badness 10000) detected at line 492 [][][] Underfull \hbox (badness 10000) detected at line 495 [][][] [1126] Underfull \hbox (badness 10000) detected at line 517 [][][] Underfull \hbox (badness 10000) detected at line 520 [][][] Underfull \hbox (badness 10000) detected at line 542 [][][] Underfull \hbox (badness 10000) detected at line 545 [][][] Underfull \hbox (badness 10000) detected at line 567 [][][] Underfull \hbox (badness 10000) detected at line 570 [][][] [1127] Underfull \hbox (badness 10000) detected at line 592 [][][] Underfull \hbox (badness 10000) detected at line 595 [][][] Underfull \hbox (badness 10000) detected at line 617 [][][] Underfull \hbox (badness 10000) detected at line 620 [][][] Underfull \hbox (badness 10000) detected at line 637 [][][] Underfull \hbox (badness 10000) detected at line 640 [][][] [1128] Underfull \hbox (badness 10000) detected at line 657 [][][] Underfull \hbox (badness 10000) detected at line 674 [][][] Underfull \hbox (badness 10000) detected at line 691 [][][] Underfull \hbox (badness 10000) detected at line 708 [][][] Underfull \hbox (badness 10000) detected at line 725 [][][] [1129] Underfull \hbox (badness 10000) detected at line 742 [][][] Underfull \hbox (badness 10000) detected at line 759 [][][] Underfull \hbox (badness 10000) detected at line 780 [][][] Underfull \hbox (badness 10000) detected at line 783 [][][] Underfull \hbox (badness 10000) detected at line 800 [][][] [1130] Underfull \hbox (badness 10000) detected at line 817 [][][] Underfull \hbox (badness 10000) detected at line 834 [][][] Underfull \hbox (badness 10000) detected at line 851 [][][] Underfull \hbox (badness 10000) detected at line 868 [][][] Underfull \hbox (badness 10000) detected at line 881 [][][] [1131] Underfull \hbox (badness 10000) detected at line 894 [][][] Underfull \hbox (badness 10000) detected at line 911 [][][] [1132] Underfull \hbox (badness 10000) detected at line 955 [][][] Underfull \hbox (badness 10000) detected at line 985 [][][] [1133] Underfull \hbox (badness 10000) detected at line 1007 [][][] Underfull \hbox (badness 10000) detected at line 1029 [][][] Underfull \hbox (badness 10000) detected at line 1051 [][][] Underfull \hbox (badness 10000) detected at line 1054 [][][] Underfull \hbox (badness 10000) detected at line 1071 [][][] [1134] Underfull \hbox (badness 10000) detected at line 1074 [][][] Underfull \hbox (badness 10000) detected at line 1096 [][][] Underfull \hbox (badness 10000) detected at line 1099 [][][] Underfull \hbox (badness 10000) detected at line 1121 [][][] Underfull \hbox (badness 10000) detected at line 1124 [][][] [1135] Underfull \hbox (badness 10000) detected at line 1156 [][][] Underfull \hbox (badness 10000) detected at line 1173 [][][] [1136] Underfull \hbox (badness 10000) detected at line 1205 [][][] Underfull \hbox (badness 10000) detected at line 1208 [][][] ) (./vpmg_8h_source.tex [1137] [1138] [1139] [1140] [1141] [1142] [1143] [1144]) (./vpmgp_8c.tex <./vpmgp_8c__incl.pdf> [1145] [1146] Underfull \hbox (badness 10000) detected at line 38 [][][] Underfull \hbox (badness 10000) detected at line 41 [][][] Underfull \hbox (badness 10000) detected at line 44 [][][] [1147]) (./vpmgp_8c_source.tex [1148] [1149] [1150]) (./vpmgp_8h.tex <./vpmgp_8 h__incl.pdf> [1151] <./vpmgp_8h__dep__incl.pdf> [1152] [1153] Underfull \hbox (badness 10000) detected at line 56 [][][] Underfull \hbox (badness 10000) detected at line 59 [][][] Underfull \hbox (badness 10000) detected at line 62 [][][] Underfull \hbox (badness 10000) detected at line 65 [][][] [1154]) (./vpmgp_8h_source.tex [1155]) (./build_ad_8c_source.tex [1156] [1157] [1158]) (./build_ad_8h_source.tex [1159]) (./build_bd_8c_source.tex [1160] [1161] [1162] [1163]) (./build_bd_8h_source.tex [1164]) (./build_gd_8c_source.tex [1165] [1166] [1167] [1168] [1169] [1170] [1171] [1172] [1173] [1174] [1175] [1176] [1177] [1178] [1179] [1180] [1181] [1182] [1183] [1184] [1185] [1186] [1187] [1188] [1189] [1190] [1191] [1192] [1193] [1194] [1195] [1196] [1197] [1198] [1199] [1200] [1201] [1202]) (./build_gd_8h_source.tex [1203] [1204]) (./build_pd_8c_source.tex [1205] [1206] [1207] [1208] [1209] [1210] [1211] [1212] [1213] [1214] [1215] [1216] [1217] [1218] [1219] [1220] [1221] [1222] [1223]) (./build_pd_8h_source.tex [1224] [1225] [1226]) (./cgd_8c_source.tex) (./cgd_8h_source.tex [1227]) (./gsd_8c_source.tex [1228] [1229] [1230] [1231]) (./gsd_8h_source.tex [1232]) (./matvecd_8c_source.tex [1233] [1234] [1235] [1236] [1237] [1238] [1239] [1240] [1241] [1242] [1243] [1244] [1245]) (./matvecd_8h_source.tex [1246] [1247] [1248] [1249] [1250] [1251]) (./mgcsd_8c_source.tex [1252] [1253] [1254] [1255] [1256] [1257]) (./mgcsd_8h_source.tex [1258]) (./mgdrvd_8c_source.tex [1259] [1260] [1261] [1262] [1263] [1264] [1265]) (./mgdrvd_8h_source.tex [1266] [1267]) (./mgfasd_8c_source.tex [1268] [1269] [1270] [1271] [1272] [1273]) (./mgfasd_8h_source.tex [1274] [1275]) (./mgsubd_8c_source.tex [1276] [1277] [1278] [1279] [1280] [1281] [1282] [1283] [1284] [1285] [1286]) (./mgsubd_8h_source.tex [1287] [1288] [1289] [1290]) (./mikpckd_8c_source.tex [1291] [1292] [1293] [1294]) (./mikpckd_8h_source.tex [1295] [1296] [1297]) (./mlinpckd_8c_source.tex [1298] [1299]) (./mlinpckd_8h_source.tex) (./mypdec_8c_source.tex [1300] [1301] [1302] [1303] [1304] [1305] [1306]) (./mypdec_8h_source.tex [1307]) (./newdrvd_8c_source.tex [1308] [1309] [1310] [1311]) (./newdrvd_8h_source.tex [1312]) (./newtond_8c_source.tex [1313] [1314] [1315] [1316] [1317] [1318] [1319]) (./newtond_8h_source.tex [1320]) (./powerd_8c_source.tex [1321] [1322] [1323] [1324] [1325]) (./powerd_8h_source.tex [1326]) (./smoothd_8c_source.tex [1327]) (./smoothd_8h_source.tex [1328]) (./routines_8c.tex <./routines_8c__incl.pdf> [1329] Underfull \hbox (badness 776) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv /m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[] Underfull \hbox (badness 2856) in paragraph at lines 47--48 \T1/phv/m/n/10 YMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]ZMap[] [][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 kappa[]Map[][][], [] Underfull \hbox (badness 1237) in paragraph at lines 47--48 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] Underfull \hbox (badness 905) in paragraph at lines 61--62 []\T1/phv/m/n/10 VPUBLIC void [] (Vmem $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 mem , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy /m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 5817) in paragraph at lines 67--68 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 69--70 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1330] Underfull \hbox (badness 1442) in paragraph at lines 81--82 []\T1/phv/m/n/10 VPUBLIC int [] (Vcom $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 com, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, int nforce[][][], [] $\OMS/cmsy/ m/n/10 ^^C$\T1/phv/m/n/10 atom[] Underfull \hbox (badness 931) in paragraph at lines 87--88 []\T1/phv/m/n/10 VPUBLIC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T 1/phv/m/n/10 fetk[][][], Gem Underfull \hbox (badness 2495) in paragraph at lines 89--90 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] [1331] Underfull \hbox (badness 10000) detected at line 116 [][][] Underfull \hbox (badness 10000) detected at line 119 [][][] Underfull \hbox (badness 10000) detected at line 122 [][][] ) (./routines_8c_source.tex [1332] [1333] [1334] [1335] [1336] [1337] [1338] [1339] [1340] [1341] [1342] [1343] [1344] [1345] [1346] [1347] [1348] [1349] [1350] [1351] [1352] [1353] [1354] [1355] [1356] [1357] [1358] [1359] [1360] [1361] [1362] [1363] [1364] [1365] [1366] [1367] [1368] [1369] [1370] [1371] [1372] [1373] [1374] [1375] [1376] [1377] [1378] [1379] [1380] [1381] [1382] [1383] [1384] [1385] [1386] [1387] [1388] [1389] [1390] [1391] [1392] [1393] [1394] [1395] [1396] [1397] [1398] [1399] [1400]) (./routines_8h.tex <./routine s_8h__incl.pdf> <./routines_8h__dep__incl.pdf> [1401] Overfull \hbox (16.65858pt too wide) in paragraph at lines 50--51 []\T1/phv/m/n/10 VEXTERNC int [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Overfull \hbox (16.91972pt too wide) in paragraph at lines 52--53 []\T1/phv/m/n/10 VEXTERNC void [] ([] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 nosh , [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][][], [] $\OMS/cmsy/m/n/1 0 ^^C$\T1/phv/m/n/10 diel[]YMap[][][], Underfull \hbox (badness 1910) in paragraph at lines 70--71 [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbe[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1 /phv/m/n/10 alist[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 diel[]XMap[][] [], [] Underfull \hbox (badness 1237) in paragraph at lines 70--71 \OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 charge[]Map[][][], [] $\OMS/cmsy/m/n/10 ^^C $\T1/phv/m/n/10 pmgp[][][], [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pmg[][][], [] [1402] Underfull \hbox (badness 5817) in paragraph at lines 88--89 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], Underfull \hbox (badness 5817) in paragraph at lines 90--91 \T1/phv/m/n/10 int nenergy[][][], dou-ble $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 atom[]Energy[][][], int nforce[][][], [1403] Underfull \hbox (badness 2495) in paragraph at lines 122--123 []\T1/phv/m/n/10 VPUBLIC Vrc[]_[][]Codes [] (int icalc, [] $\OMS/cmsy/m/n/10 ^^ C$\T1/phv/m/n/10 nosh, [] $\OMS/cmsy/m/n/10 ^^C$\T1/phv/m/n/10 feparm, [] $\OMS /cmsy/m/n/10 ^^C$\T1/phv/m/n/10 pbeparm, [] Underfull \hbox (badness 10000) detected at line 145 [][][] Underfull \hbox (badness 10000) detected at line 148 [][][] Underfull \hbox (badness 10000) detected at line 151 [][][] [1404]) (./routines_8h_source.tex [1405] [1406] [1407] [1408] [1409]) [1410] (./refman.ind [1411] [1412] [1413] [1414] [1415] [1416] [1417] [1418] [1419] [1420] [1421] [1422] [1423] [1424] [1425] [1426] [1427] [1428] [1429] [1430] [1431] [1432] [1433] [1434] [1435] [1436] [1437] [1438] [1439] [1440] [1441] [1442] [1443] [1444] [1445] [1446] [1447] [1448] [1449] [1450] [1451] [1452] [1453] [1454] [1455] [1456] [1457] [1458] [1459]) (./refman.aux) ) (see the transcript file for additional information)< /usr/share/texlive/texmf-dist/fonts/type1/urw/courier/ucrro8a.pfb> Output written on refman.pdf (1517 pages, 6332919 bytes). Transcript written on refman.log. [ 55%] Built target doc-pdf [ 57%] Built target mgmesh [ 59%] Built target smooth [ 62%] Built target dxmath [ 64%] Built target mergedx [ 66%] Built target mergedx2 [ 68%] Built target value [ 71%] Built target multivalue [ 73%] Built target benchmark [ 75%] Built target similarity [ 78%] Built target analysis [ 80%] Built target dx2mol [ 82%] Built target dx2uhbd [ 85%] Built target del2dx [ 87%] Built target tensor2dx [ 89%] Built target uhbd_asc2bin [ 91%] Built target coulomb [ 94%] Built target born [ 95%] Built target apbslib_swig_compilation [ 97%] Built target _apbslib [100%] Built target iapbs Install the project... -- Install configuration: "Release" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs/doc/programmer -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs/doc/programmer/programmer.pdf -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs/doc/programmer/html -- Installing: 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/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs/tools/bin/mergedx -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs/tools/bin/dxmath -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs/tools/bin/smooth -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs/tools/bin/mgmesh -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/libapbs.so.1 -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/libapbs.so.1" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/libapbs.so -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/apbscfg.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/apbs.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/routines.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/nosh.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/mgparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/femparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/pbamparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/pbsamparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/pbeparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/bemparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/geoflowparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/apolparm.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vacc.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/valist.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vatom.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vpbe.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vcap.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vclist.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vstring.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vparam.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vgreen.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vmatrix.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vhal.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/generic/vunit.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/buildAd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/buildBd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/buildGd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/buildPd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/cgd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/gsd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/matvecd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/mgcsd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/mgdrvd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/mgsubd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/mikpckd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/mlinpckd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/mypdec.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/newtond.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/newdrvd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/powerd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/smoothd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/pmgc/mgfasd.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/mg/vgrid.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/mg/vmgrid.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/mg/vopot.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/mg/vpmg.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/apbs/mg/vpmgp.h -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mgmesh -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mgmesh" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/smooth -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/smooth" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dxmath -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dxmath" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx2 -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx2" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/value -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/value" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/multivalue -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/multivalue" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/benchmark -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/benchmark" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/similarity -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/similarity" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/analysis -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/analysis" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2mol -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2mol" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2uhbd -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2uhbd" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/del2dx -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/del2dx" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/tensor2dx -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/tensor2dx" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/uhbd_asc2bin -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/uhbd_asc2bin" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/coulomb -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/coulomb" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/born -- Set runtime path of "/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/born" to "/usr/lib" -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib/libiapbs.a -- Installing: /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/include/iapbs/apbs_driver.h make: Leaving directory '/builddir/build/BUILD/apbs-3.0.0/build' + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/coulomb + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/coulomb /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-coulomb + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/coulomb + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/born + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/born /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-born + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/born + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mgmesh + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mgmesh /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-mgmesh + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mgmesh + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dxmath + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dxmath /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-dxmath + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dxmath + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx2 + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx2 /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-mergedx2 + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx2 + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-mergedx + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/mergedx + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/value + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/value /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-value + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/value + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/uhbd_asc2bin + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/uhbd_asc2bin /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-uhbd_asc2bin + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/uhbd_asc2bin + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/smooth + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/smooth /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-smooth + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/smooth + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2mol + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2mol /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-dx2mol + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2mol + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2uhbd + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2uhbd /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-dx2uhbd + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/dx2uhbd + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/similarity + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/similarity /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-similarity + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/similarity + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/multivalue + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/multivalue /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-multivalue + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/multivalue + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/benchmark + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/benchmark /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-benchmark + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/benchmark + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/analysis + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/analysis /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-analysis + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/analysis + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/del2dx + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/del2dx /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-del2dx + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/del2dx + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} ++ basename /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/tensor2dx + cp -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/tensor2dx /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-tensor2dx + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/tensor2dx + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-coulomb + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-born + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-mgmesh + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-dxmath + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-mergedx2 + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-mergedx + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-value + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-uhbd_asc2bin + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-smooth + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-dx2mol + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-dx2uhbd + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-similarity + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-multivalue + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-benchmark + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-analysis + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-del2dx + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + for bin in /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-{coulomb,born,mgmesh,dxmath,mergedx2,mergedx,value,uhbd_asc2bin,smooth,dx2mol,dx2uhbd,similarity,multivalue,benchmark,analysis,del2dx,tensor2dx} + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-tensor2dx + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs + chrpath -d /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/libapbs.so.1 + mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/python3.12/site-packages/apbs + install -pm 755 tools/manip/psize.py /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/python3.12/site-packages/apbs/ + /usr/bin/python3 /usr/lib/rpm/redhat/pathfix.py -pn -i /usr/bin/python3 /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/python3.12/site-packages/apbs/psize.py /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/python3.12/site-packages/apbs/psize.py: updating + ln -s /usr/lib64/python3.12/site-packages/apbs/psize.py /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/bin/apbs-psize.py + install -pm 755 build/lib/_apbslib.so /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/python3.12/site-packages/apbs/ + rm -rf /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/apbs ++ find /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x -type f '(' -name '*.a' ')' + for i in `find /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x -type f \( -name "*.a" \)` + rm -f /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib/libiapbs.a + /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 3.0.0-20.fc40 --unique-debug-suffix -3.0.0-20.fc40.s390x --unique-debug-src-base apbs-3.0.0-20.fc40.s390x --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/apbs-3.0.0 find-debuginfo: starting Extracting debug info from 20 files DWARF-compressing 20 files sepdebugcrcfix: Updated 20 CRC32s, 0 CRC32s did match. Creating .debug symlinks for symlinks to ELF files Copying sources found by 'debugedit -l' to /usr/src/debug/apbs-3.0.0-20.fc40.s390x 5148 blocks find-debuginfo: done + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/check-rpaths + /usr/lib/rpm/redhat/brp-mangle-shebangs + /usr/lib/rpm/brp-remove-la-files + env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j2 Bytecompiling .py files below /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib/debug/usr/lib64/python3.12 using python3.12 Bytecompiling .py files below /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64/python3.12 using python3.12 + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.W7iN3v + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CFLAGS ~/build/BUILD/apbs-3.0.0/tests ~/build/BUILD/apbs-3.0.0 + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -fcommon -m64 -march=z13 -mtune=z14 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd apbs-3.0.0 + pushd tests + export LD_LIBRARY_PATH=/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64 + LD_LIBRARY_PATH=/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/lib64 + /usr/bin/python3 ./apbs_tester.py Testing all sections The following sections will be tested: born, actin-dimer-auto, actin-dimer-parallel, alkanes, FKBP, hca-bind, ionize, ion-pmf, ion-protein, pka-lig, point-pmf, solv ================================================================================ Running tests for born section -------------------------------------------------------------------------------- Testing forces from apbs-forces.in Checking forces for input file apbs-forces.inChecking Polar ForcesChecking Apolar ForcesElapsed time: 0.000920 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-mol-auto.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-auto.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-auto.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.607073836227E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.383 x 0.383 x 0.383 Grid lengths: 24.495 x 24.495 x 24.495 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.200266567971E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to potential.dx.gz Total electrostatic energy = 4.732245131587E+03 kJ/mol Calculating forces... Writing potential to potential.dx.gz ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.190871482831E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.383 x 0.383 x 0.383 Grid lengths: 24.495 x 24.495 x 24.495 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.430874049735E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.962018684215E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -2.297735526282E+02 kJ/mol Global net ELEC energy = -2.297735526282E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-auto.out RESULT 960.7073836227 RESULT 2200.266567971 RESULT 4732.245131587 RESULT 1190.871482831 RESULT 2430.874049735 RESULT 4962.018684215 RESULT -229.7735526282 Testing computed result 9.607073836227E+02 against expected result 9.607074E+02 *** PASSED *** Testing computed result 2.200266567971E+03 against expected result 2.200267E+03 *** PASSED *** Testing computed result 4.732245131587E+03 against expected result 4.732245E+03 *** PASSED *** Testing computed result 1.190871482831E+03 against expected result 1.190871E+03 *** PASSED *** Testing computed result 2.430874049735E+03 against expected result 2.430874E+03 *** PASSED *** Testing computed result 4.962018684215E+03 against expected result 4.962019E+03 *** PASSED *** Testing computed result -2.297735526282E+02 against expected result -2.297735E+02 *** PASSED *** Elapsed time: 1.318777 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-auto.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-auto.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-auto.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.532928767450E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.383 x 0.383 x 0.383 Grid lengths: 24.495 x 24.495 x 24.495 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.201243880085E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.733006258977E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.190871482831E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.383 x 0.383 x 0.383 Grid lengths: 24.495 x 24.495 x 24.495 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.430874049735E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.962018684215E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -2.290124252387E+02 kJ/mol Global net ELEC energy = -2.290124252387E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-auto.out RESULT 953.292876745 RESULT 2201.243880085 RESULT 4733.006258977 RESULT 1190.871482831 RESULT 2430.874049735 RESULT 4962.018684215 RESULT -229.0124252387 Testing computed result 9.532928767450E+02 against expected result 9.532929E+02 *** PASSED *** Testing computed result 2.201243880085E+03 against expected result 2.201244E+03 *** PASSED *** Testing computed result 4.733006258977E+03 against expected result 4.733006E+03 *** PASSED *** Testing computed result 1.190871482831E+03 against expected result 1.190871E+03 *** PASSED *** Testing computed result 2.430874049735E+03 against expected result 2.430874E+03 *** PASSED *** Testing computed result 4.962018684215E+03 against expected result 4.962019E+03 *** PASSED *** Testing computed result -2.290124252387E+02 against expected result -2.290124E+02 *** PASSED *** Elapsed time: 1.071912 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-mol-parallel.in Splitting the input file into 4 separate files using the inputgen utility BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE0.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE0.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.401768459022E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.142935592471E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485255308186E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707009E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557588E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949131E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.761864094552E+01 kJ/mol Global net ELEC energy = -5.761864094552E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE0.out Processor 0 results: 2.401768459022E+02 8.142935592471E+02 1.485255308186E+03 2.977178707009E+02 8.799304557588E+02 1.542873949131E+03 -5.761864094552E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE1.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE1.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.401768459022E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.142778312125E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485246667424E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707009E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557588E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949131E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.762728170718E+01 kJ/mol Global net ELEC energy = -5.762728170718E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE1.out Processor 1 results: 2.401768459022E+02 8.142778312125E+02 1.485246667424E+03 2.977178707009E+02 8.799304557588E+02 1.542873949131E+03 -5.762728170718E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE2.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE2.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.401768459091E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.142935605695E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485255306569E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707146E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557596E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949141E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.761864257239E+01 kJ/mol Global net ELEC energy = -5.761864257239E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE2.out Processor 2 results: 2.401768459091E+02 8.142935605695E+02 1.485255306569E+03 2.977178707146E+02 8.799304557596E+02 1.542873949141E+03 -5.761864257239E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE3.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE3.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.401768459091E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.142778325440E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485246665692E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707146E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557596E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949141E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.762728344953E+01 kJ/mol Global net ELEC energy = -5.762728344953E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE3.out Processor 3 results: 2.401768459091E+02 8.142778325440E+02 1.485246665692E+03 2.977178707146E+02 8.799304557596E+02 1.542873949141E+03 -5.762728344953E+01 RESULT 960.7073836226 RESULT 3257.1427835730997 RESULT 5941.0039478710005 RESULT 1190.8714828309999 RESULT 3519.7218230368003 RESULT 6171.495796544 RESULT -230.49184867462003 Testing computed result 9.607073836226E+02 against expected result 9.607074E+02 *** PASSED *** Testing computed result 3.257142783573E+03 against expected result 3.257143E+03 *** PASSED *** Testing computed result 5.941003947871E+03 against expected result 5.941004E+03 *** PASSED *** Testing computed result 1.190871482831E+03 against expected result 1.190871E+03 *** PASSED *** Testing computed result 3.519721823037E+03 against expected result 3.519722E+03 *** PASSED *** Testing computed result 6.171495796544E+03 against expected result 6.171496E+03 *** PASSED *** Testing computed result -2.304918486746E+02 against expected result -2.304918E+02 *** PASSED *** Elapsed time: 5.403363 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-parallel.in Splitting the input file into 4 separate files using the inputgen utility BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE0.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE0.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.383232191816E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.145369591602E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485524998001E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707009E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557588E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949131E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.734895113069E+01 kJ/mol Global net ELEC energy = -5.734895113069E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE0.out Processor 0 results: 2.383232191816E+02 8.145369591602E+02 1.485524998001E+03 2.977178707009E+02 8.799304557588E+02 1.542873949131E+03 -5.734895113069E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE1.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE1.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.383232191816E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.145419898332E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485529328612E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707009E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557588E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, -2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949131E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.734462051928E+01 kJ/mol Global net ELEC energy = -5.734462051928E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE1.out Processor 1 results: 2.383232191816E+02 8.145419898332E+02 1.485529328612E+03 2.977178707009E+02 8.799304557588E+02 1.542873949131E+03 -5.734462051928E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE2.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE2.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.383232191909E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.145369593489E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485524997676E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707146E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557596E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (-2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949141E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.734895146550E+01 kJ/mol Global net ELEC energy = -5.734895146550E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE2.out Processor 2 results: 2.383232191909E+02 8.145369593489E+02 1.485524997676E+03 2.977178707146E+02 8.799304557596E+02 1.542873949141E+03 -5.734895146550E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE3.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE3.in... rank 0 size 1... Parsed input file. Got paths for 1 molecules Reading XML-format atom data from ion.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 61.280 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.383232191909E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.145419900310E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #3 (solvated): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.280 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.485529328301E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.781 x 0.781 x 0.781 Grid lengths: 50.000 x 50.000 x 50.000 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977178707146E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.296 x 0.296 x 0.383 Grid lengths: 18.944 x 18.944 x 24.495 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.799304557596E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (reference): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.207 MB total, 122.102 MB high water Using cubic spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 1 Grid dimensions: 65 x 65 x 65 Grid spacings: 0.112 x 0.112 x 0.188 Grid lengths: 7.178 x 7.178 x 12.000 Grid center: (2.411, 2.411, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.542873949141E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (solvated) - 2 (reference) end Local net energy (PE 0) = -5.734462084052E+01 kJ/mol Global net ELEC energy = -5.734462084052E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 0.001 MB total, 122.102 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE3.out Processor 3 results: 2.383232191909E+02 8.145419900310E+02 1.485529328301E+03 2.977178707146E+02 8.799304557596E+02 1.542873949141E+03 -5.734462084052E+01 RESULT 953.292876745 RESULT 3258.1578983732998 RESULT 5942.108652589999 RESULT 1190.8714828309999 RESULT 3519.7218230368003 RESULT 6171.495796544 RESULT -229.38714395599 Testing computed result 9.532928767450E+02 against expected result 9.532929E+02 *** PASSED *** Testing computed result 3.258157898373E+03 against expected result 3.258158E+03 *** PASSED *** Testing computed result 5.942108652590E+03 against expected result 5.942109E+03 *** PASSED *** Testing computed result 1.190871482831E+03 against expected result 1.190871E+03 *** PASSED *** Testing computed result 3.519721823037E+03 against expected result 3.519722E+03 *** PASSED *** Testing computed result 6.171495796544E+03 against expected result 6.171496E+03 *** PASSED *** Testing computed result -2.293871439560E+02 against expected result -2.293871E+02 *** PASSED *** Elapsed time: 5.533250 seconds -------------------------------------------------------------------------------- Total elapsed time: 13.328222 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for actin-dimer-auto section -------------------------------------------------------------------------------- Testing input file apbs-mol-auto.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-auto.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-auto.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1028.322 MB total, 1028.322 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.975 x 0.756 x 1.012 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.527617850342E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1028.322 MB total, 2042.113 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.700 x 0.569 x 0.725 Grid lengths: 112.000 x 91.000 x 116.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.919510754196E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1030.291 MB total, 2042.113 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.975 x 0.756 x 1.012 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.527671844880E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1030.291 MB total, 2046.048 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.700 x 0.569 x 0.725 Grid lengths: 112.000 x 91.000 x 116.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.915468859278E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1046.446 MB total, 2046.048 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.975 x 0.756 x 1.012 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.056317807611E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1046.446 MB total, 2069.492 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.700 x 0.569 x 0.725 Grid lengths: 112.000 x 91.000 x 116.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 5.836028296532E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 2 (mol2) - 1 (mol1) end Local net energy (PE 0) = 1.048683058624E+02 kJ/mol Global net ELEC energy = 1.048683058624E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 2069.492 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-auto.out RESULT 152761.7850342 RESULT 291951.0754196 RESULT 152767.184488 RESULT 291546.8859278 RESULT 305631.7807611 RESULT 583602.8296532 RESULT 104.8683058624 Testing computed result 1.527617850342E+05 against expected result 1.527618E+05 *** PASSED *** Testing computed result 2.919510754196E+05 against expected result 2.919511E+05 *** PASSED *** Testing computed result 1.527671844880E+05 against expected result 1.527672E+05 *** PASSED *** Testing computed result 2.915468859278E+05 against expected result 2.915469E+05 *** PASSED *** Testing computed result 3.056317807611E+05 against expected result 3.056318E+05 *** PASSED *** Testing computed result 5.836028296532E+05 against expected result 5.836028E+05 *** PASSED *** Testing computed result 1.048683058624E+02 against expected result 1.048683E+02 *** PASSED *** Elapsed time: 88.309681 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-auto.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-auto.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-auto.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1028.322 MB total, 1028.322 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.975 x 0.756 x 1.012 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.528632421825E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1028.322 MB total, 2042.113 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.700 x 0.569 x 0.725 Grid lengths: 112.000 x 91.000 x 116.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.920618662320E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1030.291 MB total, 2042.113 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.975 x 0.756 x 1.012 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.529297900572E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1030.291 MB total, 2046.048 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.700 x 0.569 x 0.725 Grid lengths: 112.000 x 91.000 x 116.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.916592202835E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1046.446 MB total, 2046.048 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.975 x 0.756 x 1.012 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.059244262535E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 1046.446 MB total, 2069.492 MB high water Using linear spline charge discretization. Grid dimensions: 161 x 161 x 161 Grid spacings: 0.700 x 0.569 x 0.725 Grid lengths: 112.000 x 91.000 x 116.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 5.838306706232E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 2 (mol2) - 1 (mol1) end Local net energy (PE 0) = 1.095841077688E+02 kJ/mol Global net ELEC energy = 1.095841077688E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 2069.492 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-auto.out RESULT 152863.2421825 RESULT 292061.866232 RESULT 152929.7900572 RESULT 291659.2202835 RESULT 305924.4262535 RESULT 583830.6706232 RESULT 109.5841077688 Testing computed result 1.528632421825E+05 against expected result 1.528632E+05 *** PASSED *** Testing computed result 2.920618662320E+05 against expected result 2.920619E+05 *** PASSED *** Testing computed result 1.529297900572E+05 against expected result 1.529298E+05 *** PASSED *** Testing computed result 2.916592202835E+05 against expected result 2.916592E+05 *** PASSED *** Testing computed result 3.059244262535E+05 against expected result 3.059244E+05 *** PASSED *** Testing computed result 5.838306706232E+05 against expected result 5.838307E+05 *** PASSED *** Testing computed result 1.095841077688E+02 against expected result 1.095841E+02 *** PASSED *** Elapsed time: 58.758751 seconds -------------------------------------------------------------------------------- Total elapsed time: 147.068432 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for actin-dimer-parallel section -------------------------------------------------------------------------------- Testing input file apbs-mol-parallel.in Splitting the input file into 8 separate files using the inputgen utility BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE0.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE0.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.335181353180E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.307364296734E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.892640552270E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.287358143371E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.237489755360E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 3.595556932858E+04 kJ/mol Calculating forces... Writing potential to pot-PE0.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 8.344927525590E+00 kJ/mol Global net ELEC energy = 8.344927525590E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE0.out Processor 0 results: 1.335181353180E+03 1.307364296734E+04 2.892640552270E+03 2.287358143371E+04 4.237489755360E+03 3.595556932858E+04 8.344927525590E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE1.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE1.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.161150884899E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.271350510933E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -1.084559511557E-01 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -9.159029781186E-02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.161009682231E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 9.271251267660E+04 kJ/mol Calculating forces... Writing potential to pot-PE1.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = -9.008424334065E-01 kJ/mol Global net ELEC energy = -9.008424334065E-01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE1.out Processor 1 results: 1.161150884899E+04 9.271350510933E+04 1.084559511557E-01 9.159029781186E-02 1.161009682231E+04 9.271251267660E+04 -9.008424334065E-01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE2.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE2.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -1.533327920982E+01 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.349327483109E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.753646268927E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.716901575464E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.760706267384E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 3.753396861378E+04 kJ/mol Calculating forces... Writing potential to pot-PE2.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 3.002011083292E+01 kJ/mol Global net ELEC energy = 3.002011083292E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE2.out Processor 2 results: 1.533327920982E+01 3.349327483109E+02 4.753646268927E+03 3.716901575464E+04 4.760706267384E+03 3.753396861378E+04 3.002011083292E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE3.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE3.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.803290534287E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.400275505449E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -8.150603559111E-01 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -8.573366340513E-01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.804039178218E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 1.400354034488E+05 kJ/mol Calculating forces... Writing potential to pot-PE3.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 8.710240552006E+00 kJ/mol Global net ELEC energy = 8.710240552006E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE3.out Processor 3 results: 1.803290534287E+04 1.400275505449E+05 8.150603559111E-01 8.573366340513E-01 1.804039178218E+04 1.400354034488E+05 8.710240552006E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE4.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE4.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.015087619451E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.216054444942E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.620207421716E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.273875108812E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.666622027749E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 1.306246500367E+05 kJ/mol Calculating forces... Writing potential to pot-PE4.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 2.108471049004E+01 kJ/mol Global net ELEC energy = 2.108471049004E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE4.out Processor 4 results: 4.015087619451E+02 3.216054444942E+03 1.620207421716E+04 1.273875108812E+05 1.666622027749E+04 1.306246500367E+05 2.108471049004E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE5.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE5.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.100112513614E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.662571945373E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -4.370921758038E-01 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -4.012777153962E-01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.115105077953E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 1.662769018146E+04 kJ/mol Calculating forces... Writing potential to pot-PE5.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 2.372005444801E+00 kJ/mol Global net ELEC energy = 2.372005444801E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE5.out Processor 5 results: 2.100112513614E+03 1.662571945373E+04 4.370921758038E-01 4.012777153962E-01 2.115105077953E+03 1.662769018146E+04 2.372005444801E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE6.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE6.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -2.817378781616E+00 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -1.959534462269E+00 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.176793266728E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.643533578081E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.176229449467E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 9.643148330287E+04 kJ/mol Calculating forces... Writing potential to pot-PE6.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = -1.892943480339E+00 kJ/mol Global net ELEC energy = -1.892943480339E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE6.out Processor 6 results: 2.817378781616E+00 1.959534462269E+00 1.176793266728E+04 9.643533578081E+04 1.176229449467E+04 9.643148330287E+04 -1.892943480339E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-parallel-PE7.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-parallel-PE7.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.428230292158E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.199832997920E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.881300088062E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.152799174875E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.847712854852E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 2.618156668929E+04 kJ/mol Calculating forces... Writing potential to pot-PE7.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 3.043753521022E+01 kJ/mol Global net ELEC energy = 3.043753521022E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-parallel-PE7.out Processor 7 results: 2.428230292158E+03 2.199832997920E+04 3.881300088062E+02 4.152799174875E+03 2.847712854852E+03 2.618156668929E+04 3.043753521022E+01 RESULT 35927.59777074854 RESULT 287991.6947822151 RESULT 36005.78432292607 RESULT 288019.59322988224 RESULT 72040.017332199 RESULT 576102.84427808 RESULT 98.1757441418315 Testing computed result 3.592759777075E+04 against expected result 3.592760E+04 *** PASSED *** Testing computed result 2.879916947822E+05 against expected result 2.879917E+05 *** PASSED *** Testing computed result 3.600578432293E+04 against expected result 3.600578E+04 *** PASSED *** Testing computed result 2.880195932299E+05 against expected result 2.880196E+05 *** PASSED *** Testing computed result 7.204001733220E+04 against expected result 7.204002E+04 *** PASSED *** Testing computed result 5.761028442781E+05 against expected result 5.761028E+05 *** PASSED *** Testing computed result 9.817574414183E+01 against expected result 9.817456E+01 *** PASSED (with rounding error - see log) *** Elapsed time: 205.383959 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-parallel.in Splitting the input file into 8 separate files using the inputgen utility BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE0.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE0.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.371266245949E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.306912290219E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.977036667733E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.288057507497E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.356039288708E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 3.595843060209E+04 kJ/mol Calculating forces... Writing potential to pot-PE0.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 8.732624922086E+00 kJ/mol Global net ELEC energy = 8.732624922086E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE0.out Processor 0 results: 1.371266245949E+03 1.306912290219E+04 2.977036667733E+03 2.288057507497E+04 4.356039288708E+03 3.595843060209E+04 8.732624922086E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE1.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE1.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.183935033618E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.276169789420E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -1.420924995464E-01 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -1.129030298944E-01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.183791435221E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 9.276043001853E+04 kJ/mol Calculating forces... Writing potential to pot-PE1.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = -1.154972633314E+00 kJ/mol Global net ELEC energy = -1.154972633314E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE1.out Processor 1 results: 1.183935033618E+04 9.276169789420E+04 1.420924995464E-01 1.129030298944E-01 1.183791435221E+04 9.276043001853E+04 -1.154972633314E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE2.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE2.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -9.992726432058E+00 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.375960934473E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.863608503641E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.720602537782E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.896854387650E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 3.757590620855E+04 kJ/mol Calculating forces... Writing potential to pot-PE2.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 3.228473728522E+01 kJ/mol Global net ELEC energy = 3.228473728522E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE2.out Processor 2 results: 9.992726432058E+00 3.375960934473E+02 4.863608503641E+03 3.720602537782E+04 4.896854387650E+03 3.757590620855E+04 3.228473728522E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE3.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE3.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.826846317904E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.401007397614E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -9.966525690477E-01 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -8.961424692860E-01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.827933209233E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, -6.674) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 1.401092487740E+05 kJ/mol Calculating forces... Writing potential to pot-PE3.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 9.405155088038E+00 kJ/mol Global net ELEC energy = 9.405155088038E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE3.out Processor 3 results: 1.826846317904E+04 1.401007397614E+05 9.966525690477E-01 8.961424692860E-01 1.827933209233E+04 1.401092487740E+05 9.405155088038E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE4.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE4.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.021998204986E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.215581391535E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.644646339930E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.274227987774E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.689865332202E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 1.306747563963E+05 kJ/mol Calculating forces... Writing potential to pot-PE4.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 3.637622734655E+01 kJ/mol Global net ELEC energy = 3.637622734655E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE4.out Processor 4 results: 4.021998204986E+02 3.215581391535E+03 1.644646339930E+04 1.274227987774E+05 1.689865332202E+04 1.306747563963E+05 3.637622734655E+01 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE5.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE5.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.187673595319E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.663590090053E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -4.710032885061E-01 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -4.848912615891E-01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.189033693728E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, -20.834, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 1.663642086377E+04 kJ/mol Calculating forces... Writing potential to pot-PE5.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 1.004854500180E+00 kJ/mol Global net ELEC energy = 1.004854500180E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE5.out Processor 5 results: 2.187673595319E+03 1.663590090053E+04 4.710032885061E-01 4.848912615891E-01 2.189033693728E+03 1.663642086377E+04 1.004854500180E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE6.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE6.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -4.897659240526E+00 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = -2.552765434658E+00 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.200266111088E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.646358551314E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.199560371894E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (-20.091, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 9.645933328248E+04 kJ/mol Calculating forces... Writing potential to pot-PE6.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = -1.699465221152E+00 kJ/mol Global net ELEC energy = -1.699465221152E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE6.out Processor 6 results: 4.897659240526E+00 2.552765434658E+00 1.200266111088E+04 9.646358551314E+04 1.199560371894E+04 9.645933328248E+04 -1.699465221152E+00 BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-parallel-PE7.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-parallel-PE7.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (1.535e+01, -3.100e-02, 2.993e+00) Net charge -1.20e+01 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5877 atoms Centered at (-1.404e+01, -3.356e+00, 3.049e+01) Net charge -1.20e+01 e Reading PQR-format atom data from complex.pqr. 11754 atoms Centered at (2.518e+00, -2.465e+00, 1.674e+01) Net charge -2.40e+01 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 274.673 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.521894873214E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (mol1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 274.673 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 1 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.200161660501E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 534.816 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.033680106430E+02 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (mol2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 276.642 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 2 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 4.154432431334E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 538.751 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 1.625 x 1.260 x 1.688 Grid lengths: 156.000 x 121.000 x 162.000 Grid center: (2.518, -2.465, 16.742) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.960165191413E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.608 A Current memory usage: 292.797 MB total, 562.195 MB high water Using linear spline charge discretization. Partition overlap fraction = 0.1 Processor array = 2 x 2 x 2 Grid dimensions: 97 x 97 x 97 Grid spacings: 0.696 x 0.565 x 0.720 Grid lengths: 66.783 x 54.261 x 69.168 Grid center: (25.127, 15.905, 40.159) Multigrid levels: 4 Molecule ID: 3 Nonlinear traditional PBE Boundary conditions from focusing 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Potential to be written to pot.dx Total electrostatic energy = 2.618664307349E+04 kJ/mol Calculating forces... Writing potential to pot-PE7.dx ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (mol1) - 2 (mol2) end Local net energy (PE 0) = 3.059403714563E+01 kJ/mol Global net ELEC energy = 3.059403714563E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 562.195 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-parallel-PE7.out Processor 7 results: 2.521894873214E+03 2.200161660501E+04 4.033680106430E+02 4.154432431334E+03 2.960165191413E+03 2.618664307349E+04 3.059403714563E+01 RESULT 36605.73843587318 RESULT 288124.808313747 RESULT 36694.74744055409 RESULT 288128.91111142474 RESULT 73413.59604699901 RESULT 576361.16921921 RESULT 115.543198433238 Testing computed result 3.660573843587E+04 against expected result 3.660574E+04 *** PASSED *** Testing computed result 2.881248083137E+05 against expected result 2.881248E+05 *** PASSED *** Testing computed result 3.669474744055E+04 against expected result 3.669475E+04 *** PASSED *** Testing computed result 2.881289111114E+05 against expected result 2.881289E+05 *** PASSED *** Testing computed result 7.341359604700E+04 against expected result 7.341360E+04 *** PASSED *** Testing computed result 5.763611692192E+05 against expected result 5.763611E+05 *** PASSED *** Testing computed result 1.155431984332E+02 against expected result 1.155421E+02 *** PASSED (with rounding error - see log) *** Elapsed time: 171.606048 seconds -------------------------------------------------------------------------------- Total elapsed time: 376.990007 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for alkanes section -------------------------------------------------------------------------------- Testing input file alkanes.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: alkanes.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file alkanes.in... rank 0 size 1... Parsed input file. Reading parameter data from parm.dat. Got paths for 11 molecules Reading PDB-format atom data from 2-methylbutane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 17 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 4.33e+00 e Reading PDB-format atom data from butane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 14 atoms Centered at (3.917e+00, 7.025e-01, -8.575e+00) Net charge 3.51e+00 e Reading PDB-format atom data from cyclohexane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 18 atoms Centered at (1.123e+00, 5.880e-01, 7.680e-01) Net charge 4.93e+00 e Reading PDB-format atom data from cyclopentane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 13 atoms Centered at (1.320e+00, 5.255e-01, 1.289e+00) Net charge 3.88e+00 e Reading PDB-format atom data from ethane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 8 atoms Centered at (2.210e-01, -2.100e-02, 7.650e-01) Net charge 1.87e+00 e Reading PDB-format atom data from hexane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 20 atoms Centered at (4.951e+00, -9.500e-03, -8.406e+00) Net charge 5.16e+00 e Reading PDB-format atom data from isobutane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 14 atoms Centered at (1.859e+01, 1.864e+01, 1.921e+01) Net charge 3.51e+00 e Reading PDB-format atom data from methane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 5 atoms Centered at (1.803e+01, 1.779e+01, 1.782e+01) Net charge 1.05e+00 e Reading PDB-format atom data from neopentane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 17 atoms Centered at (1.867e+01, 1.894e+01, 1.920e+01) Net charge 4.33e+00 e Reading PDB-format atom data from pentane.pdb. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 17 atoms Centered at (4.460e+00, 1.615e-01, -8.566e+00) Net charge 4.33e+00 e Reading PDB-format atom data from propane.pdb. 11 atoms Centered at (1.836e+01, 1.896e+01, 1.861e+01) Net charge 2.69e+00 e Preparing to run 11 PBE calculations. ---------------------------------------- CALCULATION #1 (solvated-2-methylbutane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 3.815624614267E+00 SASA for atom 1: 0.000000000000E+00 SASA for atom 2: 6.122920124655E-01 SASA for atom 3: 3.957497153740E+00 SASA for atom 4: 4.308445014544E+00 SASA for atom 5: 1.843264951960E+01 SASA for atom 6: 1.837011296483E+01 SASA for atom 7: 1.666599184724E+01 SASA for atom 8: 1.480031796315E+01 SASA for atom 9: 1.603020354037E+01 SASA for atom 10: 1.473778140838E+01 SASA for atom 11: 1.611879699297E+01 SASA for atom 12: 1.810954398660E+01 SASA for atom 13: 1.420100931324E+01 SASA for atom 14: 1.437298483886E+01 SASA for atom 15: 1.814081226399E+01 SASA for atom 16: 2.152820898091E+01 Total solvent accessible surface area: 214.202 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 3.243280922127E-02 Surface tension*area energy for atom 1: 0.000000000000E+00 Surface tension*area energy for atom 2: 5.204482105957E-03 Surface tension*area energy for atom 3: 3.363872580679E-02 Surface tension*area energy for atom 4: 3.662178262362E-02 Surface tension*area energy for atom 5: 1.566775209166E-01 Surface tension*area energy for atom 6: 1.561459602010E-01 Surface tension*area energy for atom 7: 1.416609307015E-01 Surface tension*area energy for atom 8: 1.258027026868E-01 Surface tension*area energy for atom 9: 1.362567300932E-01 Surface tension*area energy for atom 10: 1.252711419712E-01 Surface tension*area energy for atom 11: 1.370097744402E-01 Surface tension*area energy for atom 12: 1.539311238861E-01 Surface tension*area energy for atom 13: 1.207085791625E-01 Surface tension*area energy for atom 14: 1.221703711303E-01 Surface tension*area energy for atom 15: 1.541969042439E-01 Surface tension*area energy for atom 16: 1.829897763377E-01 Total surface tension energy: 1.82072 kJ/mol Total solvent accessible volume: 253.665 A^3 Total pressure*volume energy: 60.7274 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.271287875274E+00 WCA energy for atom 1: -5.600872869478E+00 WCA energy for atom 2: -5.773775123943E+00 WCA energy for atom 3: -6.072801488986E+00 WCA energy for atom 4: -6.378470721845E+00 WCA energy for atom 5: -1.573474558351E+00 WCA energy for atom 6: -1.582338715648E+00 WCA energy for atom 7: -1.504044838266E+00 WCA energy for atom 8: -1.351002262819E+00 WCA energy for atom 9: -1.437367175239E+00 WCA energy for atom 10: -1.384626257493E+00 WCA energy for atom 11: -1.468867560891E+00 WCA energy for atom 12: -1.557005662832E+00 WCA energy for atom 13: -1.473759654043E+00 WCA energy for atom 14: -1.502261431335E+00 WCA energy for atom 15: -1.550940901474E+00 WCA energy for atom 16: -1.667828659696E+00 Total WCA energy: -48.1507 kJ/mol Total non-polar energy = 1.439739455792E+01 kJ/mol ---------------------------------------- CALCULATION #2 (solvated-butane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 4.405515699447E+00 SASA for atom 1: 8.213673337951E-01 SASA for atom 2: 8.064333822716E-01 SASA for atom 3: 4.375647796400E+00 SASA for atom 4: 1.855251124959E+01 SASA for atom 5: 2.147609518526E+01 SASA for atom 6: 1.852645435176E+01 SASA for atom 7: 1.660345529247E+01 SASA for atom 8: 1.658782115377E+01 SASA for atom 9: 1.658260977421E+01 SASA for atom 10: 1.658260977421E+01 SASA for atom 11: 2.145003828744E+01 SASA for atom 12: 1.852124297220E+01 SASA for atom 13: 1.856293400871E+01 Total solvent accessible surface area: 193.855 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 3.744688344530E-02 Surface tension*area energy for atom 1: 6.981622337259E-03 Surface tension*area energy for atom 2: 6.854683749309E-03 Surface tension*area energy for atom 3: 3.719300626940E-02 Surface tension*area energy for atom 4: 1.576963456215E-01 Surface tension*area energy for atom 5: 1.825468090747E-01 Surface tension*area energy for atom 6: 1.574748619900E-01 Surface tension*area energy for atom 7: 1.411293699860E-01 Surface tension*area energy for atom 8: 1.409964798071E-01 Surface tension*area energy for atom 9: 1.409521830808E-01 Surface tension*area energy for atom 10: 1.409521830808E-01 Surface tension*area energy for atom 11: 1.823253254433E-01 Surface tension*area energy for atom 12: 1.574305652637E-01 Surface tension*area energy for atom 13: 1.577849390741E-01 Total surface tension energy: 1.64777 kJ/mol Total solvent accessible volume: 217.863 A^3 Total pressure*volume energy: 52.1564 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.728858147814E+00 WCA energy for atom 1: -6.204037472587E+00 WCA energy for atom 2: -6.202937735018E+00 WCA energy for atom 3: -6.728762249931E+00 WCA energy for atom 4: -1.623549989062E+00 WCA energy for atom 5: -1.709092300778E+00 WCA energy for atom 6: -1.625196457114E+00 WCA energy for atom 7: -1.484289341167E+00 WCA energy for atom 8: -1.485410538626E+00 WCA energy for atom 9: -1.485593139015E+00 WCA energy for atom 10: -1.484878734279E+00 WCA energy for atom 11: -1.708585062695E+00 WCA energy for atom 12: -1.625094916482E+00 WCA energy for atom 13: -1.624416805392E+00 Total WCA energy: -41.7207 kJ/mol Total non-polar energy = 1.208346456826E+01 kJ/mol ---------------------------------------- CALCULATION #3 (solvated-cyclohexane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 7.840324549863E-01 SASA for atom 1: 8.064333822716E-01 SASA for atom 2: 8.288343095569E-01 SASA for atom 3: 7.840324549863E-01 SASA for atom 4: 7.989664065098E-01 SASA for atom 5: 8.363012853187E-01 SASA for atom 6: 2.001169752764E+01 SASA for atom 7: 1.616048802948E+01 SASA for atom 8: 2.001169752764E+01 SASA for atom 9: 1.619175630687E+01 SASA for atom 10: 1.616048802948E+01 SASA for atom 11: 1.993352683418E+01 SASA for atom 12: 2.001169752764E+01 SASA for atom 13: 1.618133354774E+01 SASA for atom 14: 1.617091078861E+01 SASA for atom 15: 2.001690890721E+01 SASA for atom 16: 1.993873821374E+01 SASA for atom 17: 1.617091078861E+01 Total solvent accessible surface area: 221.799 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 6.664275867383E-03 Surface tension*area energy for atom 1: 6.854683749309E-03 Surface tension*area energy for atom 2: 7.045091631234E-03 Surface tension*area energy for atom 3: 6.664275867383E-03 Surface tension*area energy for atom 4: 6.791214455333E-03 Surface tension*area energy for atom 5: 7.108560925209E-03 Surface tension*area energy for atom 6: 1.700994289850E-01 Surface tension*area energy for atom 7: 1.373641482506E-01 Surface tension*area energy for atom 8: 1.700994289850E-01 Surface tension*area energy for atom 9: 1.376299286084E-01 Surface tension*area energy for atom 10: 1.373641482506E-01 Surface tension*area energy for atom 11: 1.694349780905E-01 Surface tension*area energy for atom 12: 1.700994289850E-01 Surface tension*area energy for atom 13: 1.375413351558E-01 Surface tension*area energy for atom 14: 1.374527417032E-01 Surface tension*area energy for atom 15: 1.701437257113E-01 Surface tension*area energy for atom 16: 1.694792748168E-01 Surface tension*area energy for atom 17: 1.374527417032E-01 Total surface tension energy: 1.88529 kJ/mol Total solvent accessible volume: 267.435 A^3 Total pressure*volume energy: 64.0239 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -5.793234697241E+00 WCA energy for atom 1: -5.784370526583E+00 WCA energy for atom 2: -5.791799130412E+00 WCA energy for atom 3: -5.788504399087E+00 WCA energy for atom 4: -5.797319672490E+00 WCA energy for atom 5: -5.787358035342E+00 WCA energy for atom 6: -1.523887929614E+00 WCA energy for atom 7: -1.413678912317E+00 WCA energy for atom 8: -1.521751604392E+00 WCA energy for atom 9: -1.414741802525E+00 WCA energy for atom 10: -1.413367854344E+00 WCA energy for atom 11: -1.523407238081E+00 WCA energy for atom 12: -1.523000623583E+00 WCA energy for atom 13: -1.413922068538E+00 WCA energy for atom 14: -1.416316744211E+00 WCA energy for atom 15: -1.524577474659E+00 WCA energy for atom 16: -1.523300410052E+00 WCA energy for atom 17: -1.414522566061E+00 Total WCA energy: -52.3691 kJ/mol Total non-polar energy = 1.354016672221E+01 kJ/mol ---------------------------------------- CALCULATION #4 (solvated-cyclopentane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 9.490526193215E+00 SASA for atom 1: 9.512927120500E+00 SASA for atom 2: 2.299828534626E+00 SASA for atom 3: 1.919012770776E+00 SASA for atom 4: 2.307295510388E+00 SASA for atom 5: 2.325838699632E+01 SASA for atom 6: 2.325838699632E+01 SASA for atom 7: 2.045987617019E+01 SASA for atom 8: 2.067875411190E+01 SASA for atom 9: 2.028790064456E+01 SASA for atom 10: 1.897463299431E+01 SASA for atom 11: 2.048593306801E+01 SASA for atom 12: 2.070481100972E+01 Total solvent accessible surface area: 193.638 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 8.066947264233E-02 Surface tension*area energy for atom 1: 8.085988052425E-02 Surface tension*area energy for atom 2: 1.954854254432E-02 Surface tension*area energy for atom 3: 1.631160855160E-02 Surface tension*area energy for atom 4: 1.961201183830E-02 Surface tension*area energy for atom 5: 1.976962894687E-01 Surface tension*area energy for atom 6: 1.976962894687E-01 Surface tension*area energy for atom 7: 1.739089474466E-01 Surface tension*area energy for atom 8: 1.757694099511E-01 Surface tension*area energy for atom 9: 1.724471554788E-01 Surface tension*area energy for atom 10: 1.612843804516E-01 Surface tension*area energy for atom 11: 1.741304310781E-01 Surface tension*area energy for atom 12: 1.759908935826E-01 Total surface tension energy: 1.64593 kJ/mol Total solvent accessible volume: 217.998 A^3 Total pressure*volume energy: 52.1887 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.343496616804E+00 WCA energy for atom 1: -6.327869601807E+00 WCA energy for atom 2: -6.334858040579E+00 WCA energy for atom 3: -6.296075406417E+00 WCA energy for atom 4: -6.345600816761E+00 WCA energy for atom 5: -1.663697465126E+00 WCA energy for atom 6: -1.662444032853E+00 WCA energy for atom 7: -1.572325104493E+00 WCA energy for atom 8: -1.604626551065E+00 WCA energy for atom 9: -1.586431484963E+00 WCA energy for atom 10: -1.554291291374E+00 WCA energy for atom 11: -1.574315220751E+00 WCA energy for atom 12: -1.604941679892E+00 Total WCA energy: -44.471 kJ/mol Total non-polar energy = 9.363673200142E+00 kJ/mol ---------------------------------------- CALCULATION #5 (solvated-ethane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 5.995981536705E+00 SASA for atom 1: 5.966113633657E+00 SASA for atom 2: 2.121552620704E+01 SASA for atom 3: 2.124158310486E+01 SASA for atom 4: 2.125200586399E+01 SASA for atom 5: 2.123116034573E+01 SASA for atom 6: 2.125200586399E+01 SASA for atom 7: 2.127285138225E+01 Total solvent accessible surface area: 139.427 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 5.096584306199E-02 Surface tension*area energy for atom 1: 5.071196588609E-02 Surface tension*area energy for atom 2: 1.803319727598E-01 Surface tension*area energy for atom 3: 1.805534563913E-01 Surface tension*area energy for atom 4: 1.806420498439E-01 Surface tension*area energy for atom 5: 1.804648629387E-01 Surface tension*area energy for atom 6: 1.806420498439E-01 Surface tension*area energy for atom 7: 1.808192367491E-01 Total surface tension energy: 1.18513 kJ/mol Total solvent accessible volume: 140.346 A^3 Total pressure*volume energy: 33.5988 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -7.360066353115E+00 WCA energy for atom 1: -7.355483516201E+00 WCA energy for atom 2: -1.776106201066E+00 WCA energy for atom 3: -1.773973940651E+00 WCA energy for atom 4: -1.775401936843E+00 WCA energy for atom 5: -1.773464835521E+00 WCA energy for atom 6: -1.774382856097E+00 WCA energy for atom 7: -1.772366599434E+00 Total WCA energy: -25.3612 kJ/mol Total non-polar energy = 9.422717598546E+00 kJ/mol ---------------------------------------- CALCULATION #6 (solvated-hexane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 4.405515699447E+00 SASA for atom 1: 8.213673337951E-01 SASA for atom 2: 3.285469335181E-01 SASA for atom 3: 2.986790304710E-01 SASA for atom 4: 1.855251124959E+01 SASA for atom 5: 2.147609518526E+01 SASA for atom 6: 1.852645435176E+01 SASA for atom 7: 1.655655287639E+01 SASA for atom 8: 1.655134149682E+01 SASA for atom 9: 1.360170066332E+01 SASA for atom 10: 1.357043238593E+01 SASA for atom 11: 1.381536722546E+01 SASA for atom 12: 1.384142412329E+01 SASA for atom 13: 7.765654792245E-01 SASA for atom 14: 1.684839013200E+01 SASA for atom 15: 1.682233323417E+01 SASA for atom 16: 4.166572475070E+00 SASA for atom 17: 2.179398933870E+01 SASA for atom 18: 1.877660057086E+01 SASA for atom 19: 1.876096643216E+01 Total solvent accessible surface area: 250.291 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 3.744688344530E-02 Surface tension*area energy for atom 1: 6.981622337259E-03 Surface tension*area energy for atom 2: 2.792648934903E-03 Surface tension*area energy for atom 3: 2.538771759003E-03 Surface tension*area energy for atom 4: 1.576963456215E-01 Surface tension*area energy for atom 5: 1.825468090747E-01 Surface tension*area energy for atom 6: 1.574748619900E-01 Surface tension*area energy for atom 7: 1.407306994493E-01 Surface tension*area energy for atom 8: 1.406864027230E-01 Surface tension*area energy for atom 9: 1.156144556382E-01 Surface tension*area energy for atom 10: 1.153486752804E-01 Surface tension*area energy for atom 11: 1.174306214164E-01 Surface tension*area energy for atom 12: 1.176521050479E-01 Surface tension*area energy for atom 13: 6.600806573408E-03 Surface tension*area energy for atom 14: 1.432113161220E-01 Surface tension*area energy for atom 15: 1.429898324905E-01 Surface tension*area energy for atom 16: 3.541586603809E-02 Surface tension*area energy for atom 17: 1.852489093789E-01 Surface tension*area energy for atom 18: 1.596011048523E-01 Surface tension*area energy for atom 19: 1.594682146734E-01 Total surface tension energy: 2.12748 kJ/mol Total solvent accessible volume: 298.053 A^3 Total pressure*volume energy: 71.3539 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.635406071935E+00 WCA energy for atom 1: -5.957247427848E+00 WCA energy for atom 2: -5.524801144538E+00 WCA energy for atom 3: -5.522294168859E+00 WCA energy for atom 4: -1.605314409440E+00 WCA energy for atom 5: -1.701051761776E+00 WCA energy for atom 6: -1.606669162773E+00 WCA energy for atom 7: -1.442505934938E+00 WCA energy for atom 8: -1.443059002759E+00 WCA energy for atom 9: -1.328947132810E+00 WCA energy for atom 10: -1.328906972440E+00 WCA energy for atom 11: -1.331566344214E+00 WCA energy for atom 12: -1.328041776815E+00 WCA energy for atom 13: -5.937562025661E+00 WCA energy for atom 14: -1.442277774427E+00 WCA energy for atom 15: -1.442777091510E+00 WCA energy for atom 16: -6.602262542378E+00 WCA energy for atom 17: -1.698172146664E+00 WCA energy for atom 18: -1.600970858835E+00 WCA energy for atom 19: -1.600841970217E+00 Total WCA energy: -57.0807 kJ/mol Total non-polar energy = 1.640068943201E+01 kJ/mol ---------------------------------------- CALCULATION #7 (solvated-isobutane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 3.464676753463E+00 SASA for atom 1: 1.984493338158E+01 SASA for atom 2: 1.778643845361E+01 SASA for atom 3: 1.671289426332E+01 SASA for atom 4: 0.000000000000E+00 SASA for atom 5: 3.531879535319E+00 SASA for atom 6: 1.673895116114E+01 SASA for atom 7: 1.793756846098E+01 SASA for atom 8: 1.973549441072E+01 SASA for atom 9: 1.710895911022E+01 SASA for atom 10: 4.599657069253E+00 SASA for atom 11: 1.937069784121E+01 SASA for atom 12: 1.654613011726E+01 SASA for atom 13: 1.936548646165E+01 Total solvent accessible surface area: 192.744 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 2.944975240444E-02 Surface tension*area energy for atom 1: 1.686819337434E-01 Surface tension*area energy for atom 2: 1.511847268556E-01 Surface tension*area energy for atom 3: 1.420596012382E-01 Surface tension*area energy for atom 4: 0.000000000000E+00 Surface tension*area energy for atom 5: 3.002097605021E-02 Surface tension*area energy for atom 6: 1.422810848697E-01 Surface tension*area energy for atom 7: 1.524693319183E-01 Surface tension*area energy for atom 8: 1.677517024912E-01 Surface tension*area energy for atom 9: 1.454261524369E-01 Surface tension*area energy for atom 10: 3.909708508865E-02 Surface tension*area energy for atom 11: 1.646509316503E-01 Surface tension*area energy for atom 12: 1.406421059967E-01 Surface tension*area energy for atom 13: 1.646066349240E-01 Total surface tension energy: 1.63832 kJ/mol Total solvent accessible volume: 218.943 A^3 Total pressure*volume energy: 52.415 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.381016335247E+00 WCA energy for atom 1: -1.612317964554E+00 WCA energy for atom 2: -1.588013719598E+00 WCA energy for atom 3: -1.532162371190E+00 WCA energy for atom 4: -5.987950445279E+00 WCA energy for atom 5: -6.393089030861E+00 WCA energy for atom 6: -1.533454887042E+00 WCA energy for atom 7: -1.587650918485E+00 WCA energy for atom 8: -1.614083521570E+00 WCA energy for atom 9: -1.442402031577E+00 WCA energy for atom 10: -6.408813541353E+00 WCA energy for atom 11: -1.605830214390E+00 WCA energy for atom 12: -1.529385873788E+00 WCA energy for atom 13: -1.605662490385E+00 Total WCA energy: -40.8218 kJ/mol Total non-polar energy = 1.323144287435E+01 kJ/mol ---------------------------------------- CALCULATION #8 (solvated-methane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 1.231304303117E+01 SASA for atom 1: 2.323233009850E+01 SASA for atom 2: 2.345641941977E+01 SASA for atom 3: 2.377431357320E+01 SASA for atom 4: 2.264344420771E+01 Total solvent accessible surface area: 105.42 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 1.046608657649E-01 Surface tension*area energy for atom 1: 1.974748058372E-01 Surface tension*area energy for atom 2: 1.993795650680E-01 Surface tension*area energy for atom 3: 2.020816653722E-01 Surface tension*area energy for atom 4: 1.924692757655E-01 Total surface tension energy: 0.896066 kJ/mol Total solvent accessible volume: 95.985 A^3 Total pressure*volume energy: 22.9788 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -8.133807570805E+00 WCA energy for atom 1: -1.962181541765E+00 WCA energy for atom 2: -1.964078319162E+00 WCA energy for atom 3: -1.963015006647E+00 WCA energy for atom 4: -1.957425549100E+00 Total WCA energy: -15.9805 kJ/mol Total non-polar energy = 7.894367190329E+00 kJ/mol ---------------------------------------- CALCULATION #9 (solvated-neopentane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 2.441701074100E+00 SASA for atom 1: 1.663993494942E+01 SASA for atom 2: 1.715586152630E+01 SASA for atom 3: 1.645753666466E+01 SASA for atom 4: 0.000000000000E+00 SASA for atom 5: 2.389432243768E+00 SASA for atom 6: 1.638457735076E+01 SASA for atom 7: 1.667641460637E+01 SASA for atom 8: 1.721839808108E+01 SASA for atom 9: 2.419300146815E+00 SASA for atom 10: 1.640021148945E+01 SASA for atom 11: 1.666599184724E+01 SASA for atom 12: 1.719234118325E+01 SASA for atom 13: 2.449168049862E+00 SASA for atom 14: 1.723403221977E+01 SASA for atom 15: 1.639500010989E+01 SASA for atom 16: 1.663472356985E+01 Total solvent accessible surface area: 210.755 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 2.075445912985E-02 Surface tension*area energy for atom 1: 1.414394470700E-01 Surface tension*area energy for atom 2: 1.458248229736E-01 Surface tension*area energy for atom 3: 1.398890616496E-01 Surface tension*area energy for atom 4: 0.000000000000E+00 Surface tension*area energy for atom 5: 2.031017407203E-02 Surface tension*area energy for atom 6: 1.392689074814E-01 Surface tension*area energy for atom 7: 1.417495241541E-01 Surface tension*area energy for atom 8: 1.463563836891E-01 Surface tension*area energy for atom 9: 2.056405124793E-02 Surface tension*area energy for atom 10: 1.394017976603E-01 Surface tension*area energy for atom 11: 1.416609307015E-01 Surface tension*area energy for atom 12: 1.461349000577E-01 Surface tension*area energy for atom 13: 2.081792842383E-02 Surface tension*area energy for atom 14: 1.464892738680E-01 Surface tension*area energy for atom 15: 1.393575009340E-01 Surface tension*area energy for atom 16: 1.413951503437E-01 Total surface tension energy: 1.79141 kJ/mol Total solvent accessible volume: 251.127 A^3 Total pressure*volume energy: 60.1198 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.011082520236E+00 WCA energy for atom 1: -1.497367782613E+00 WCA energy for atom 2: -1.498546483218E+00 WCA energy for atom 3: -1.492562171495E+00 WCA energy for atom 4: -5.447325863939E+00 WCA energy for atom 5: -6.004516149175E+00 WCA energy for atom 6: -1.492776531092E+00 WCA energy for atom 7: -1.496078170066E+00 WCA energy for atom 8: -1.501529655270E+00 WCA energy for atom 9: -5.996267554365E+00 WCA energy for atom 10: -1.492194267752E+00 WCA energy for atom 11: -1.496027211216E+00 WCA energy for atom 12: -1.500561393960E+00 WCA energy for atom 13: -6.000218612907E+00 WCA energy for atom 14: -1.500859921426E+00 WCA energy for atom 15: -1.492908499790E+00 WCA energy for atom 16: -1.494057174414E+00 Total WCA energy: -47.4149 kJ/mol Total non-polar energy = 1.449633815052E+01 kJ/mol ---------------------------------------- CALCULATION #10 (solvated-pentane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 4.405515699447E+00 SASA for atom 1: 8.213673337951E-01 SASA for atom 2: 3.285469335181E-01 SASA for atom 3: 7.466975761774E-01 SASA for atom 4: 1.855251124959E+01 SASA for atom 5: 2.147609518526E+01 SASA for atom 6: 1.852645435176E+01 SASA for atom 7: 1.655655287639E+01 SASA for atom 8: 1.655134149682E+01 SASA for atom 9: 1.360170066332E+01 SASA for atom 10: 1.357043238593E+01 SASA for atom 11: 1.685881289113E+01 SASA for atom 12: 1.687444702982E+01 SASA for atom 13: 4.196440378117E+00 SASA for atom 14: 1.881308022781E+01 SASA for atom 15: 1.882350298694E+01 SASA for atom 16: 2.182004623652E+01 Total solvent accessible surface area: 222.524 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 3.744688344530E-02 Surface tension*area energy for atom 1: 6.981622337259E-03 Surface tension*area energy for atom 2: 2.792648934903E-03 Surface tension*area energy for atom 3: 6.346929397508E-03 Surface tension*area energy for atom 4: 1.576963456215E-01 Surface tension*area energy for atom 5: 1.825468090747E-01 Surface tension*area energy for atom 6: 1.574748619900E-01 Surface tension*area energy for atom 7: 1.407306994493E-01 Surface tension*area energy for atom 8: 1.406864027230E-01 Surface tension*area energy for atom 9: 1.156144556382E-01 Surface tension*area energy for atom 10: 1.153486752804E-01 Surface tension*area energy for atom 11: 1.432999095746E-01 Surface tension*area energy for atom 12: 1.434327997535E-01 Surface tension*area energy for atom 13: 3.566974321399E-02 Surface tension*area energy for atom 14: 1.599111819364E-01 Surface tension*area energy for atom 15: 1.599997753890E-01 Surface tension*area energy for atom 16: 1.854703930104E-01 Total surface tension energy: 1.89145 kJ/mol Total solvent accessible volume: 258.93 A^3 Total pressure*volume energy: 61.9878 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.655804319869E+00 WCA energy for atom 1: -6.027315962813E+00 WCA energy for atom 2: -5.696430965386E+00 WCA energy for atom 3: -6.016749084714E+00 WCA energy for atom 4: -1.608595384643E+00 WCA energy for atom 5: -1.703300955380E+00 WCA energy for atom 6: -1.609931495887E+00 WCA energy for atom 7: -1.457107525189E+00 WCA energy for atom 8: -1.457741620594E+00 WCA energy for atom 9: -1.354235498709E+00 WCA energy for atom 10: -1.354106470090E+00 WCA energy for atom 11: -1.456736412636E+00 WCA energy for atom 12: -1.455995435596E+00 WCA energy for atom 13: -6.633650611186E+00 WCA energy for atom 14: -1.605996088477E+00 WCA energy for atom 15: -1.606549890103E+00 WCA energy for atom 16: -1.700042300035E+00 Total WCA energy: -49.4003 kJ/mol Total non-polar energy = 1.447900211546E+01 kJ/mol ---------------------------------------- CALCULATION #11 (solvated-propane): APOLAR Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 3.173464698754E+00 SASA for atom 1: 1.931858404557E+01 SASA for atom 2: 2.014198201675E+01 SASA for atom 3: 2.149694070352E+01 SASA for atom 4: 1.904078819252E+00 SASA for atom 5: 2.067354273233E+01 SASA for atom 6: 1.937590922077E+01 SASA for atom 7: 3.098794941136E+00 SASA for atom 8: 1.942802301642E+01 SASA for atom 9: 1.973028303116E+01 SASA for atom 10: 2.204934693736E+01 Total solvent accessible surface area: 170.391 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 2.697444993941E-02 Surface tension*area energy for atom 1: 1.642079643873E-01 Surface tension*area energy for atom 2: 1.712068471424E-01 Surface tension*area energy for atom 3: 1.827239959799E-01 Surface tension*area energy for atom 4: 1.618466996365E-02 Surface tension*area energy for atom 5: 1.757251132248E-01 Surface tension*area energy for atom 6: 1.646952283766E-01 Surface tension*area energy for atom 7: 2.633975699966E-02 Surface tension*area energy for atom 8: 1.651381956396E-01 Surface tension*area energy for atom 9: 1.677074057649E-01 Surface tension*area energy for atom 10: 1.874194489675E-01 Total surface tension energy: 1.44832 kJ/mol Total solvent accessible volume: 183.573 A^3 Total pressure*volume energy: 43.9474 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.818670105515E+00 WCA energy for atom 1: -1.641297645338E+00 WCA energy for atom 2: -1.649584120441E+00 WCA energy for atom 3: -1.711408141255E+00 WCA energy for atom 4: -6.624720142882E+00 WCA energy for atom 5: -1.610117050515E+00 WCA energy for atom 6: -1.596858009746E+00 WCA energy for atom 7: -6.816460624835E+00 WCA energy for atom 8: -1.642782751806E+00 WCA energy for atom 9: -1.645779566650E+00 WCA energy for atom 10: -1.714436154542E+00 Total WCA energy: -33.4721 kJ/mol Total non-polar energy = 1.192358496286E+01 kJ/mol ---------------------------------------- PRINT STATEMENTS print APOL energy 1 (solvated-2-methylbutane) end Global net APOL energy = 1.439739455792E+01 kJ/mol print APOL energy 2 (solvated-butane) end Global net APOL energy = 1.208346456826E+01 kJ/mol print APOL energy 3 (solvated-cyclohexane) end Global net APOL energy = 1.354016672221E+01 kJ/mol print APOL energy 4 (solvated-cyclopentane) end Global net APOL energy = 9.363673200142E+00 kJ/mol print APOL energy 5 (solvated-ethane) end Global net APOL energy = 9.422717598546E+00 kJ/mol print APOL energy 6 (solvated-hexane) end Global net APOL energy = 1.640068943201E+01 kJ/mol print APOL energy 7 (solvated-isobutane) end Global net APOL energy = 1.323144287435E+01 kJ/mol print APOL energy 8 (solvated-methane) end Global net APOL energy = 7.894367190329E+00 kJ/mol print APOL energy 9 (solvated-neopentane) end Global net APOL energy = 1.449633815052E+01 kJ/mol print APOL energy 10 (solvated-pentane) end Global net APOL energy = 1.447900211546E+01 kJ/mol print APOL energy 11 (solvated-propane) end Global net APOL energy = 1.192358496286E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 11 molecules Final memory usage: 0.001 MB total, 2.267 MB high water Thanks for using APBS! Checking for intermidiate energies in input file alkanes.out RESULT 14.39739455792 RESULT 12.08346456826 RESULT 13.54016672221 RESULT 9.363673200142 RESULT 9.422717598546 RESULT 16.40068943201 RESULT 13.23144287435 RESULT 7.894367190329 RESULT 14.49633815052 RESULT 14.47900211546 RESULT 11.92358496286 Testing computed result 1.439739455792E+01 against expected result 1.439739E+01 *** PASSED *** Testing computed result 1.208346456826E+01 against expected result 1.208346E+01 *** PASSED *** Testing computed result 1.354016672221E+01 against expected result 1.354017E+01 *** PASSED *** Testing computed result 9.363673200142E+00 against expected result 9.363673E+00 *** PASSED *** Testing computed result 9.422717598546E+00 against expected result 9.422718E+00 *** PASSED *** Testing computed result 1.640068943201E+01 against expected result 1.640069E+01 *** PASSED *** Testing computed result 1.323144287435E+01 against expected result 1.323144E+01 *** PASSED *** Testing computed result 7.894367190329E+00 against expected result 7.894367E+00 *** PASSED *** Testing computed result 1.449633815052E+01 against expected result 1.449634E+01 *** PASSED *** Testing computed result 1.447900211546E+01 against expected result 1.447900E+01 *** PASSED *** Testing computed result 1.192358496286E+01 against expected result 1.192358E+01 *** PASSED *** Elapsed time: 13.479999 seconds -------------------------------------------------------------------------------- Total elapsed time: 13.479999 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for FKBP section -------------------------------------------------------------------------------- Testing input file 1d7h-dmso-mol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: 1d7h-dmso-mol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file 1d7h-dmso-mol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from 1d7h-dmso-complex.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1673 atoms Centered at (2.587e+01, 1.835e+01, 1.911e+01) Net charge 9.91e-01 e Reading PQR-format atom data from dmso-min.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 10 atoms Centered at (1.775e+01, 1.777e+01, 2.049e+01) Net charge 2.78e-17 e Reading PQR-format atom data from 1d7h-min.pqr. 1663 atoms Centered at (2.587e+01, 1.835e+01, 1.911e+01) Net charge 9.91e-01 e Preparing to run 12 PBE calculations. ---------------------------------------- CALCULATION #1 (complex-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.059 MB total, 122.059 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.060899690259E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (complex-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.059 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.276523673491E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.059 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.399234956777E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (complex-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.059 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.610066575192E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (dmso-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.961107503213E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (dmso-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 7.121048606059E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (dmso-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 6.751571424823E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #8 (dmso-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 7.339101343121E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #9 (1d7h-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.058410584089E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #10 (1d7h-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.205385249581E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #11 (1d7h-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.395961902233E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #12 (1d7h-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.538248433997E+04 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end Local net energy (PE 0) = -3.335429017008E+03 kJ/mol Global net ELEC energy = -3.335429017008E+03 kJ/mol print energy 6 (dmso-solv-fine) - 8 (dmso-ref-fine) end Local net energy (PE 0) = -2.180527370616E+01 kJ/mol Global net ELEC energy = -2.180527370616E+01 kJ/mol print energy 10 (1d7h-solv-fine) - 12 (1d7h-ref-fine) end Local net energy (PE 0) = -3.328631844166E+03 kJ/mol Global net ELEC energy = -3.328631844166E+03 kJ/mol print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dmso-solv-fine) + 8 (dmso-ref-fine) - 10 (1d7h-solv-fine) + 12 (1d7h-ref-fine) end Local net energy (PE 0) = 1.500810086372E+01 kJ/mol Global net ELEC energy = 1.500810086372E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 221.696 MB high water Thanks for using APBS! Checking for intermidiate energies in input file 1d7h-dmso-mol.out RESULT 10608.99690259 RESULT 42765.23673491 RESULT 13992.34956777 RESULT 46100.66575192 RESULT 39.61107503213 RESULT 712.1048606059 RESULT 67.51571424823 RESULT 733.9101343121 RESULT 10584.10584089 RESULT 42053.85249581 RESULT 13959.61902233 RESULT 45382.48433997 RESULT -3335.429017008 RESULT -21.80527370616 RESULT -3328.631844166 RESULT 15.00810086372 Testing computed result 1.060899690259E+04 against expected result 1.060900E+04 *** PASSED *** Testing computed result 4.276523673491E+04 against expected result 4.276524E+04 *** PASSED *** Testing computed result 1.399234956777E+04 against expected result 1.399235E+04 *** PASSED *** Testing computed result 4.610066575192E+04 against expected result 4.610067E+04 *** PASSED *** Testing computed result 3.961107503213E+01 against expected result 3.961108E+01 *** PASSED *** Testing computed result 7.121048606059E+02 against expected result 7.121049E+02 *** PASSED *** Testing computed result 6.751571424823E+01 against expected result 6.751571E+01 *** PASSED *** Testing computed result 7.339101343121E+02 against expected result 7.339101E+02 *** PASSED *** Testing computed result 1.058410584089E+04 against expected result 1.058411E+04 *** PASSED *** Testing computed result 4.205385249581E+04 against expected result 4.205385E+04 *** PASSED *** Testing computed result 1.395961902233E+04 against expected result 1.395962E+04 *** PASSED *** Testing computed result 4.538248433997E+04 against expected result 4.538248E+04 *** PASSED *** Testing computed result 1.500810086372E+01 against expected result 1.500810E+01 *** PASSED *** Elapsed time: 9.853202 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file 1d7h-dmso-smol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: 1d7h-dmso-smol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file 1d7h-dmso-smol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from 1d7h-dmso-complex.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1673 atoms Centered at (2.587e+01, 1.835e+01, 1.911e+01) Net charge 9.91e-01 e Reading PQR-format atom data from dmso-min.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 10 atoms Centered at (1.775e+01, 1.777e+01, 2.049e+01) Net charge 2.78e-17 e Reading PQR-format atom data from 1d7h-min.pqr. 1663 atoms Centered at (2.587e+01, 1.835e+01, 1.911e+01) Net charge 9.91e-01 e Preparing to run 12 PBE calculations. ---------------------------------------- CALCULATION #1 (complex-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.059 MB total, 122.059 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.074948704824E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (complex-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.059 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.289487256481E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.059 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.399234956777E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (complex-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.059 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.610066575192E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (dmso-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.719709905887E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (dmso-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 7.125747080979E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (dmso-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 6.751571424823E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #8 (dmso-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.428 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 7.339101343121E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #9 (1d7h-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.071654753674E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #10 (1d7h-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.218178203716E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #11 (1d7h-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.875, 18.349, 19.112) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.395961902233E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #12 (1d7h-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.736 MB total, 221.696 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.751, 17.770, 20.492) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.538248433997E+04 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end Local net energy (PE 0) = -3.205793187109E+03 kJ/mol Global net ELEC energy = -3.205793187109E+03 kJ/mol print energy 6 (dmso-solv-fine) - 8 (dmso-ref-fine) end Local net energy (PE 0) = -2.133542621421E+01 kJ/mol Global net ELEC energy = -2.133542621421E+01 kJ/mol print energy 10 (1d7h-solv-fine) - 12 (1d7h-ref-fine) end Local net energy (PE 0) = -3.200702302816E+03 kJ/mol Global net ELEC energy = -3.200702302816E+03 kJ/mol print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dmso-solv-fine) + 8 (dmso-ref-fine) - 10 (1d7h-solv-fine) + 12 (1d7h-ref-fine) end Local net energy (PE 0) = 1.624454192074E+01 kJ/mol Global net ELEC energy = 1.624454192074E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 221.696 MB high water Thanks for using APBS! Checking for intermidiate energies in input file 1d7h-dmso-smol.out RESULT 10749.48704824 RESULT 42894.87256481 RESULT 13992.34956777 RESULT 46100.66575192 RESULT 37.19709905887 RESULT 712.5747080979 RESULT 67.51571424823 RESULT 733.9101343121 RESULT 10716.54753674 RESULT 42181.78203716 RESULT 13959.61902233 RESULT 45382.48433997 RESULT -3205.793187109 RESULT -21.33542621421 RESULT -3200.702302816 RESULT 16.24454192074 Testing computed result 1.074948704824E+04 against expected result 1.074949E+04 *** PASSED *** Testing computed result 4.289487256481E+04 against expected result 4.289487E+04 *** PASSED *** Testing computed result 1.399234956777E+04 against expected result 1.399235E+04 *** PASSED *** Testing computed result 4.610066575192E+04 against expected result 4.610067E+04 *** PASSED *** Testing computed result 3.719709905887E+01 against expected result 3.719710E+01 *** PASSED *** Testing computed result 7.125747080979E+02 against expected result 7.125747E+02 *** PASSED *** Testing computed result 6.751571424823E+01 against expected result 6.751571E+01 *** PASSED *** Testing computed result 7.339101343121E+02 against expected result 7.339101E+02 *** PASSED *** Testing computed result 1.071654753674E+04 against expected result 1.071655E+04 *** PASSED *** Testing computed result 4.218178203716E+04 against expected result 4.218178E+04 *** PASSED *** Testing computed result 1.395961902233E+04 against expected result 1.395962E+04 *** PASSED *** Testing computed result 4.538248433997E+04 against expected result 4.538248E+04 *** PASSED *** Testing computed result 1.624454192074E+01 against expected result 1.624454E+01 *** PASSED *** Elapsed time: 8.685751 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file 1d7i-dss-mol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: 1d7i-dss-mol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file 1d7i-dss-mol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from 1d7i-dss-complex.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1677 atoms Centered at (2.526e+01, 1.899e+01, 1.912e+01) Net charge 9.91e-01 e Reading PQR-format atom data from dss-min.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 14 atoms Centered at (1.734e+01, 1.921e+01, 2.050e+01) Net charge -8.33e-17 e Reading PQR-format atom data from 1d7i-min.pqr. 1663 atoms Centered at (2.526e+01, 1.899e+01, 1.912e+01) Net charge 9.91e-01 e Preparing to run 12 PBE calculations. ---------------------------------------- CALCULATION #1 (complex-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.425 MB total, 122.425 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.160578033846E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (complex-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.425 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.955701871716E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.425 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.264965939588E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (complex-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.425 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.301801664829E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (dss-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.431133325426E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (dss-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.677348113184E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (dss-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.171079106781E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #8 (dss-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.697869784185E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #9 (1d7i-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.040108332204E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #10 (1d7i-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.787747796627E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #11 (1d7i-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.252495566243E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #12 (1d7i-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.133237922574E+04 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end Local net energy (PE 0) = -3.460997931137E+03 kJ/mol Global net ELEC energy = -3.460997931137E+03 kJ/mol print energy 6 (dss-solv-fine) - 8 (dss-ref-fine) end Local net energy (PE 0) = -2.052167100108E+01 kJ/mol Global net ELEC energy = -2.052167100108E+01 kJ/mol print energy 10 (1d7i-solv-fine) - 12 (1d7i-ref-fine) end Local net energy (PE 0) = -3.454901259473E+03 kJ/mol Global net ELEC energy = -3.454901259473E+03 kJ/mol print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dss-solv-fine) + 8 (dss-ref-fine) - 10 (1d7i-solv-fine) + 12 (1d7i-ref-fine) end Local net energy (PE 0) = 1.442499933664E+01 kJ/mol Global net ELEC energy = 1.442499933664E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 222.305 MB high water Thanks for using APBS! Checking for intermidiate energies in input file 1d7i-dss-mol.out RESULT 9160.578033846 RESULT 39557.01871716 RESULT 12649.65939588 RESULT 43018.01664829 RESULT 94.31133325426 RESULT 1677.348113184 RESULT 117.1079106781 RESULT 1697.869784185 RESULT 9040.108332204 RESULT 37877.47796627 RESULT 12524.95566243 RESULT 41332.37922574 RESULT -3460.997931137 RESULT -20.52167100108 RESULT -3454.901259473 RESULT 14.42499933664 Testing computed result 9.160578033846E+03 against expected result 9.160578E+03 *** PASSED *** Testing computed result 3.955701871716E+04 against expected result 3.955702E+04 *** PASSED *** Testing computed result 1.264965939588E+04 against expected result 1.264966E+04 *** PASSED *** Testing computed result 4.301801664829E+04 against expected result 4.301802E+04 *** PASSED *** Testing computed result 9.431133325426E+01 against expected result 9.431133E+01 *** PASSED *** Testing computed result 1.677348113184E+03 against expected result 1.677348E+03 *** PASSED *** Testing computed result 1.171079106781E+02 against expected result 1.171079E+02 *** PASSED *** Testing computed result 1.697869784185E+03 against expected result 1.697870E+03 *** PASSED *** Testing computed result 9.040108332204E+03 against expected result 9.040108E+03 *** PASSED *** Testing computed result 3.787747796627E+04 against expected result 3.787748E+04 *** PASSED *** Testing computed result 1.252495566243E+04 against expected result 1.252496E+04 *** PASSED *** Testing computed result 4.133237922574E+04 against expected result 4.133238E+04 *** PASSED *** Testing computed result 1.442499933664E+01 against expected result 1.442501E+01 *** PASSED *** Elapsed time: 9.498906 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file 1d7i-dss-smol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: 1d7i-dss-smol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file 1d7i-dss-smol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from 1d7i-dss-complex.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1677 atoms Centered at (2.526e+01, 1.899e+01, 1.912e+01) Net charge 9.91e-01 e Reading PQR-format atom data from dss-min.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 14 atoms Centered at (1.734e+01, 1.921e+01, 2.050e+01) Net charge -8.33e-17 e Reading PQR-format atom data from 1d7i-min.pqr. 1663 atoms Centered at (2.526e+01, 1.899e+01, 1.912e+01) Net charge 9.91e-01 e Preparing to run 12 PBE calculations. ---------------------------------------- CALCULATION #1 (complex-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.425 MB total, 122.425 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.634884642408E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #2 (complex-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 122.425 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.003177540425E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.425 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.264965939588E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (complex-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 122.425 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.301801664829E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (dss-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 7.942232645345E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (dss-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.677798535473E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (dss-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.171079106781E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #8 (dss-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 62.528 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.697869784185E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #9 (1d7i-solv-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.507068451372E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #10 (1d7i-solv-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 30.4176 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.835075772299E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #11 (1d7i-ref-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (25.264, 18.988, 19.122) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.252495566243E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #12 (1d7i-ref-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 4.87072 A Current memory usage: 121.977 MB total, 222.305 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (17.340, 19.211, 20.503) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.010 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.010 M concentration 2.000 A-radius, -1.000 e-charge, 0.010 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.133237922574E+04 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) end Local net energy (PE 0) = -2.986241244040E+03 kJ/mol Global net ELEC energy = -2.986241244040E+03 kJ/mol print energy 6 (dss-solv-fine) - 8 (dss-ref-fine) end Local net energy (PE 0) = -2.007124871262E+01 kJ/mol Global net ELEC energy = -2.007124871262E+01 kJ/mol print energy 10 (1d7i-solv-fine) - 12 (1d7i-ref-fine) end Local net energy (PE 0) = -2.981621502756E+03 kJ/mol Global net ELEC energy = -2.981621502756E+03 kJ/mol print energy 2 (complex-solv-fine) - 4 (complex-ref-fine) - 6 (dss-solv-fine) + 8 (dss-ref-fine) - 10 (1d7i-solv-fine) + 12 (1d7i-ref-fine) end Local net energy (PE 0) = 1.545150742843E+01 kJ/mol Global net ELEC energy = 1.545150742843E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 222.305 MB high water Thanks for using APBS! Checking for intermidiate energies in input file 1d7i-dss-smol.out RESULT 9634.884642408 RESULT 40031.77540425 RESULT 12649.65939588 RESULT 43018.01664829 RESULT 79.42232645345 RESULT 1677.798535473 RESULT 117.1079106781 RESULT 1697.869784185 RESULT 9507.068451372 RESULT 38350.75772299 RESULT 12524.95566243 RESULT 41332.37922574 RESULT -2986.24124404 RESULT -20.07124871262 RESULT -2981.621502756 RESULT 15.45150742843 Testing computed result 9.634884642408E+03 against expected result 9.634885E+03 *** PASSED *** Testing computed result 4.003177540425E+04 against expected result 4.003178E+04 *** PASSED *** Testing computed result 1.264965939588E+04 against expected result 1.264966E+04 *** PASSED *** Testing computed result 4.301801664829E+04 against expected result 4.301802E+04 *** PASSED *** Testing computed result 7.942232645345E+01 against expected result 7.942233E+01 *** PASSED *** Testing computed result 1.677798535473E+03 against expected result 1.677799E+03 *** PASSED *** Testing computed result 1.171079106781E+02 against expected result 1.171079E+02 *** PASSED *** Testing computed result 1.697869784185E+03 against expected result 1.697870E+03 *** PASSED *** Testing computed result 9.507068451372E+03 against expected result 9.507068E+03 *** PASSED *** Testing computed result 3.835075772299E+04 against expected result 3.835076E+04 *** PASSED *** Testing computed result 1.252495566243E+04 against expected result 1.252496E+04 *** PASSED *** Testing computed result 4.133237922574E+04 against expected result 4.133238E+04 *** PASSED *** Testing computed result 1.545150742843E+01 against expected result 1.545150E+01 *** PASSED *** Elapsed time: 9.255377 seconds -------------------------------------------------------------------------------- Total elapsed time: 37.293236 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for hca-bind section -------------------------------------------------------------------------------- Testing input file apbs-mol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from acet.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 18 atoms Centered at (-6.028e+00, 3.898e+00, 1.518e+01) Net charge -1.00e+00 e Reading PQR-format atom data from hca.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 2482 atoms Centered at (-7.196e+00, 4.070e-01, 1.704e+01) Net charge 1.00e+00 e Reading PQR-format atom data from complex.pqr. 2500 atoms Centered at (-7.196e+00, 4.070e-01, 1.704e+01) Net charge -1.02e-14 e Preparing to run 9 PBE calculations. ---------------------------------------- CALCULATION #1 (acet): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 62.727 MB total, 62.727 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.213600726771E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (acet): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 62.727 MB total, 123.701 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.581 x 0.581 x 0.581 Grid lengths: 37.181 x 37.181 x 37.181 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.825764811255E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (acet): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 62.727 MB total, 123.701 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 6.458471211905E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (hca): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.516 MB total, 146.516 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.093606095527E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #5 (hca): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.516 MB total, 245.092 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.581 x 0.581 x 0.581 Grid lengths: 37.181 x 37.181 x 37.181 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.515433544464E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (hca): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.516 MB total, 245.092 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.786369323561E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.926 MB total, 245.092 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.105322784838E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #8 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.926 MB total, 245.725 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.581 x 0.581 x 0.581 Grid lengths: 37.181 x 37.181 x 37.181 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.533304996252E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #9 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.926 MB total, 245.725 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.850429388099E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (acet) - 2 (hca) end Local net energy (PE 0) = -5.246475812681E+01 kJ/mol Global net ELEC energy = -5.246475812681E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 245.725 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol.out RESULT 221.3600726771 RESULT 1825.764811255 RESULT 6458.471211905 RESULT 20936.06095527 RESULT 151543.3544464 RESULT 178636.9323561 RESULT 21053.22784838 RESULT 153330.4996252 RESULT 185042.9388099 RESULT -52.46475812681 Testing computed result 2.213600726771E+02 against expected result 2.213601E+02 *** PASSED *** Testing computed result 1.825764811255E+03 against expected result 1.825765E+03 *** PASSED *** Testing computed result 6.458471211905E+03 against expected result 6.458471E+03 *** PASSED *** Testing computed result 2.093606095527E+04 against expected result 2.093606E+04 *** PASSED *** Testing computed result 1.515433544464E+05 against expected result 1.515434E+05 *** PASSED *** Testing computed result 1.786369323561E+05 against expected result 1.786369E+05 *** PASSED *** Testing computed result 2.105322784838E+04 against expected result 2.105323E+04 *** PASSED *** Testing computed result 1.533304996252E+05 against expected result 1.533305E+05 *** PASSED *** Testing computed result 1.850429388099E+05 against expected result 1.850429E+05 *** PASSED *** Testing computed result -5.246475812681E+01 against expected result -5.246476E+01 *** PASSED *** Elapsed time: 7.845694 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from acet.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 18 atoms Centered at (-6.028e+00, 3.898e+00, 1.518e+01) Net charge -1.00e+00 e Reading PQR-format atom data from hca.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 2482 atoms Centered at (-7.196e+00, 4.070e-01, 1.704e+01) Net charge 1.00e+00 e Reading PQR-format atom data from complex.pqr. 2500 atoms Centered at (-7.196e+00, 4.070e-01, 1.704e+01) Net charge -1.02e-14 e Preparing to run 9 PBE calculations. ---------------------------------------- CALCULATION #1 (acet): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 62.727 MB total, 62.727 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.884888131017E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (acet): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 62.727 MB total, 123.701 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.581 x 0.581 x 0.581 Grid lengths: 37.181 x 37.181 x 37.181 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.820045922544E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (acet): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 62.727 MB total, 123.701 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 6.460002606908E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (hca): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.516 MB total, 146.516 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.189161497021E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #5 (hca): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.516 MB total, 245.092 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.581 x 0.581 x 0.581 Grid lengths: 37.181 x 37.181 x 37.181 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.520000494925E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (hca): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.516 MB total, 245.092 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.790436191580E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.926 MB total, 245.092 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 1.500 x 1.500 x 1.500 Grid lengths: 96.000 x 96.000 x 96.000 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.195842512312E+04 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #8 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.926 MB total, 245.725 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.581 x 0.581 x 0.581 Grid lengths: 37.181 x 37.181 x 37.181 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.537771604355E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #9 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 146.926 MB total, 245.725 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.225 x 0.225 x 0.225 Grid lengths: 14.400 x 14.400 x 14.400 Grid center: (-6.028, 3.898, 15.179) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.540 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.854495619747E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (acet) - 2 (hca) end Local net energy (PE 0) = -5.405979017059E+01 kJ/mol Global net ELEC energy = -5.405979017059E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 245.725 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol.out RESULT 188.4888131017 RESULT 1820.045922544 RESULT 6460.002606908 RESULT 21891.61497021 RESULT 152000.0494925 RESULT 179043.619158 RESULT 21958.42512312 RESULT 153777.1604355 RESULT 185449.5619747 RESULT -54.05979017059 Testing computed result 1.884888131017E+02 against expected result 1.884888E+02 *** PASSED *** Testing computed result 1.820045922544E+03 against expected result 1.820046E+03 *** PASSED *** Testing computed result 6.460002606908E+03 against expected result 6.460003E+03 *** PASSED *** Testing computed result 2.189161497021E+04 against expected result 2.189161E+04 *** PASSED *** Testing computed result 1.520000494925E+05 against expected result 1.520000E+05 *** PASSED *** Testing computed result 1.790436191580E+05 against expected result 1.790436E+05 *** PASSED *** Testing computed result 2.195842512312E+04 against expected result 2.195843E+04 *** PASSED *** Testing computed result 1.537771604355E+05 against expected result 1.537772E+05 *** PASSED *** Testing computed result 1.854495619747E+05 against expected result 1.854496E+05 *** PASSED *** Testing computed result -5.405979017059E+01 against expected result -5.405978E+01 *** PASSED *** Elapsed time: 6.922228 seconds -------------------------------------------------------------------------------- Total elapsed time: 14.767922 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for ionize section -------------------------------------------------------------------------------- Testing input file apbs-mol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading XML-format atom data from acetic-acid.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 8 atoms Centered at (0.000e+00, -1.535e-01, 1.287e+00) Net charge -1.67e-16 e Reading XML-format atom data from acetate.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 8 atoms Centered at (0.000e+00, -1.535e-01, 1.287e+00) Net charge -1.00e+00 e Reading XML-format atom data from proton.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (1.780e-01, -1.286e+00, 2.937e+00) Net charge 1.00e+00 e Preparing to run 12 PBE calculations. ---------------------------------------- CALCULATION #1 (acetic-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 61.598 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 5.823898055191E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (acetic-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.793274462353E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (acetic-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 5.846917564309E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (acetic-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.815953282539E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (acetate-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 8.219846763777E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (acetate-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.392741988698E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (acetate-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 8.420373979905E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #8 (acetate-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.412716615065E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #9 (proton-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.412 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.862359524598E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #10 (proton-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.412 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 6.288156251610E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #11 (proton-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.373 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.162533113906E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #12 (proton-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.373 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 6.585616091973E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (acetic-solv) - 2 (acetic-ref) end Local net energy (PE 0) = -2.267882018629E+01 kJ/mol Global net ELEC energy = -2.267882018629E+01 kJ/mol print energy 3 (acetate-solv) - 4 (acetate-ref) end Local net energy (PE 0) = -1.997462636633E+02 kJ/mol Global net ELEC energy = -1.997462636633E+02 kJ/mol print energy 5 (proton-solv) - 6 (proton-ref) end Local net energy (PE 0) = -2.974598403628E+02 kJ/mol Global net ELEC energy = -2.974598403628E+02 kJ/mol print energy 3 (acetate-solv) - 4 (acetate-ref) + 5 (proton-solv) - 6 (proton-ref) - 1 (acetic-solv) + 2 (acetic-ref) end Local net energy (PE 0) = -4.745272838398E+02 kJ/mol Global net ELEC energy = -4.745272838398E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 122.404 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol.out RESULT 5823.898055191 RESULT 9793.274462353 RESULT 5846.917564309 RESULT 9815.953282539 RESULT 8219.846763777 RESULT 13927.41988698 RESULT 8420.373979905 RESULT 14127.16615065 RESULT 3862.359524598 RESULT 6288.15625161 RESULT 4162.533113906 RESULT 6585.616091973 RESULT -22.67882018629 RESULT -199.7462636633 RESULT -297.4598403628 RESULT -474.5272838398 Testing computed result 5.823898055191E+03 against expected result 5.823898E+03 *** PASSED *** Testing computed result 9.793274462353E+03 against expected result 9.793274E+03 *** PASSED *** Testing computed result 5.846917564309E+03 against expected result 5.846918E+03 *** PASSED *** Testing computed result 9.815953282539E+03 against expected result 9.815953E+03 *** PASSED *** Testing computed result 8.219846763777E+03 against expected result 8.219847E+03 *** PASSED *** Testing computed result 1.392741988698E+04 against expected result 1.392742E+04 *** PASSED *** Testing computed result 8.420373979905E+03 against expected result 8.420374E+03 *** PASSED *** Testing computed result 1.412716615065E+04 against expected result 1.412717E+04 *** PASSED *** Testing computed result 3.862359524598E+03 against expected result 3.862360E+03 *** PASSED *** Testing computed result 6.288156251610E+03 against expected result 6.288156E+03 *** PASSED *** Testing computed result 4.162533113906E+03 against expected result 4.162533E+03 *** PASSED *** Testing computed result 6.585616091973E+03 against expected result 6.585616E+03 *** PASSED *** Testing computed result -2.267882018629E+01 against expected result -2.267882E+01 *** PASSED *** Testing computed result -1.997462636633E+02 against expected result -1.997463E+02 *** PASSED *** Testing computed result -2.974598403628E+02 against expected result -2.974598E+02 *** PASSED *** Testing computed result -4.745272838398E+02 against expected result -4.745273E+02 *** PASSED *** Elapsed time: 2.276441 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol.in ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading XML-format atom data from acetic-acid.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 8 atoms Centered at (0.000e+00, -1.535e-01, 1.287e+00) Net charge -1.67e-16 e Reading XML-format atom data from acetate.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 8 atoms Centered at (0.000e+00, -1.535e-01, 1.287e+00) Net charge -1.00e+00 e Reading XML-format atom data from proton.xml. Valist_readXML: Warning Warning Warning Warning Warning Valist_readXML: The use of XML input files with parameter Valist_readXML: files is currently not supported. Valist_readXML: Warning Warning Warning Warning Warning 1 atoms Centered at (1.780e-01, -1.286e+00, 2.937e+00) Net charge 1.00e+00 e Preparing to run 12 PBE calculations. ---------------------------------------- CALCULATION #1 (acetic-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 61.598 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 5.824172730822E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (acetic-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.793622759239E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (acetic-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 5.846917564309E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (acetic-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 9.815953282539E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (acetate-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 8.221328580569E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #6 (acetate-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.598 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.392867783119E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #7 (acetate-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 8.420373979905E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #8 (acetate-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.422 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.412716615065E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #9 (proton-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.412 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.863066835285E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #10 (proton-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 7.76163 A Current memory usage: 61.412 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.150 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.150 M concentration 2.000 A-radius, -1.000 e-charge, 0.150 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 6.289649216644E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #11 (proton-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.373 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.188 x 0.188 x 0.188 Grid lengths: 12.000 x 12.000 x 12.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 4.162533113906E+03 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #12 (proton-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.373 MB total, 122.404 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.094 x 0.094 x 0.094 Grid lengths: 6.000 x 6.000 x 6.000 Grid center: (0.000, -0.154, 1.287) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 2.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 293.000 K Electrostatic energies will be calculated Total electrostatic energy = 6.585616091973E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (acetic-solv) - 2 (acetic-ref) end Local net energy (PE 0) = -2.233052329981E+01 kJ/mol Global net ELEC energy = -2.233052329981E+01 kJ/mol print energy 3 (acetate-solv) - 4 (acetate-ref) end Local net energy (PE 0) = -1.984883194538E+02 kJ/mol Global net ELEC energy = -1.984883194538E+02 kJ/mol print energy 5 (proton-solv) - 6 (proton-ref) end Local net energy (PE 0) = -2.959668753288E+02 kJ/mol Global net ELEC energy = -2.959668753288E+02 kJ/mol print energy 3 (acetate-solv) - 4 (acetate-ref) + 5 (proton-solv) - 6 (proton-ref) - 1 (acetic-solv) + 2 (acetic-ref) end Local net energy (PE 0) = -4.721246714828E+02 kJ/mol Global net ELEC energy = -4.721246714828E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 122.404 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol.out RESULT 5824.172730822 RESULT 9793.622759239 RESULT 5846.917564309 RESULT 9815.953282539 RESULT 8221.328580569 RESULT 13928.67783119 RESULT 8420.373979905 RESULT 14127.16615065 RESULT 3863.066835285 RESULT 6289.649216644 RESULT 4162.533113906 RESULT 6585.616091973 RESULT -22.33052329981 RESULT -198.4883194538 RESULT -295.9668753288 RESULT -472.1246714828 Testing computed result 5.824172730822E+03 against expected result 5.824173E+03 *** PASSED *** Testing computed result 9.793622759239E+03 against expected result 9.793623E+03 *** PASSED *** Testing computed result 5.846917564309E+03 against expected result 5.846918E+03 *** PASSED *** Testing computed result 9.815953282539E+03 against expected result 9.815953E+03 *** PASSED *** Testing computed result 8.221328580569E+03 against expected result 8.221329E+03 *** PASSED *** Testing computed result 1.392867783119E+04 against expected result 1.392868E+04 *** PASSED *** Testing computed result 8.420373979905E+03 against expected result 8.420374E+03 *** PASSED *** Testing computed result 1.412716615065E+04 against expected result 1.412717E+04 *** PASSED *** Testing computed result 3.863066835285E+03 against expected result 3.863067E+03 *** PASSED *** Testing computed result 6.289649216644E+03 against expected result 6.289649E+03 *** PASSED *** Testing computed result 4.162533113906E+03 against expected result 4.162533E+03 *** PASSED *** Testing computed result 6.585616091973E+03 against expected result 6.585616E+03 *** PASSED *** Testing computed result -2.233052329981E+01 against expected result -2.233050E+01 *** PASSED *** Testing computed result -1.984883194538E+02 against expected result -1.984883E+02 *** PASSED *** Testing computed result -2.959668753288E+02 against expected result -2.959669E+02 *** PASSED *** Testing computed result -4.721246714828E+02 against expected result -4.721247E+02 *** PASSED *** Elapsed time: 2.252151 seconds -------------------------------------------------------------------------------- Total elapsed time: 4.528592 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for ion-pmf section -------------------------------------------------------------------------------- Testing input file ion-pmf.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: ion-pmf.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file ion-pmf.in... rank 0 size 1... Parsed input file. Reading parameter data from parm.dat. Got paths for 1 molecules Reading PDB-format atom data from ion-pmf.pdb. Vpmg_ibForce: No force for zero ionic strength! Vpmg_ibForce: No force for zero ionic strength! 2 atoms Centered at (-1.000e+00, 0.000e+00, 0.000e+00) Net charge 2.00e+00 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.106 MB total, 61.106 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated All-atom solvent forces will be calculated Total electrostatic energy = 7.839535983197E+03 kJ/mol Calculating forces... Printing per-atom forces for molecule 1 (kJ/mol/A) Legend: tot n -- total force for atom n qf n -- fixed charge force for atom n db n -- dielectric boundary force for atom n ib n -- ionic boundary force for atom n mgF tot 0 -3.760e+03 -4.398e-05 -7.763e-05 mgF qf 0 -3.767e+03 -1.730e-05 -2.384e-05 mgF ib 0 0.000e+00 0.000e+00 0.000e+00 mgF db 0 6.148e+00 -2.668e-05 -5.379e-05 mgF tot 1 -3.596e+03 -5.403e-05 -1.012e-04 mgF qf 1 -3.598e+03 -2.253e-05 -3.831e-05 mgF ib 1 0.000e+00 0.000e+00 0.000e+00 mgF db 1 2.883e+00 -3.150e-05 -6.291e-05 Vpmg_ibForce: No force for zero ionic strength! Vpmg_ibForce: No force for zero ionic strength! ---------------------------------------- CALCULATION #2 (ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.106 MB total, 61.155 MB high water Using cubic spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 1.000 Solvent dielectric: 1.000 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated All-atom solvent forces will be calculated Total electrostatic energy = 8.964727588811E+03 kJ/mol Calculating forces... Printing per-atom forces for molecule 1 (kJ/mol/A) Legend: tot n -- total force for atom n qf n -- fixed charge force for atom n db n -- dielectric boundary force for atom n ib n -- ionic boundary force for atom n mgF tot 0 -3.850e+03 -4.055e-06 -7.703e-06 mgF qf 0 -3.850e+03 -4.055e-06 -7.703e-06 mgF ib 0 0.000e+00 0.000e+00 0.000e+00 mgF db 0 0.000e+00 0.000e+00 0.000e+00 mgF tot 1 -3.514e+03 -4.163e-06 -7.690e-06 mgF qf 1 -3.514e+03 -4.163e-06 -7.690e-06 mgF ib 1 0.000e+00 0.000e+00 0.000e+00 mgF db 1 0.000e+00 0.000e+00 0.000e+00 ---------------------------------------- CALCULATION #3 (asolv): APOLAR Printing per atom forces (kJ/mol/A) Legend: tot n -- Total force for atom n sasa n -- SASA force for atom n sav n -- SAV force for atom n wca n -- WCA force for atom n gamma 0.000720 pressure 0.000000 bconc 0.033000 tot 0 2.715e-02 9.130e-07 9.128e-07 sasa 0 -1.100e+01 0.000e+00 0.000e+00 sav 0 0.000e+00 0.000e+00 0.000e+00 wca 0 -5.827e-01 -2.767e-05 -2.766e-05 tot 1 -2.723e-02 9.131e-07 9.134e-07 sasa 1 1.112e+01 0.000e+00 0.000e+00 sav 1 0.000e+00 0.000e+00 0.000e+00 wca 1 5.827e-01 -2.767e-05 -2.768e-05 Solvent Accessible Surface Area (SASA) for each atom: SASA for atom 0: 1.153275282828E+02 SASA for atom 1: 1.153114143344E+02 Total solvent accessible surface area: 230.639 A^2 Surface tension*area energies (gamma * SASA) for each atom: Surface tension*area energy for atom 0: 8.303582036361E-02 Surface tension*area energy for atom 1: 8.302421832080E-02 Total surface tension energy: 0.16606 kJ/mol Total solvent accessible volume: 0 A^3 Total pressure*volume energy: 0 kJ/mol WCA dispersion Energies for each atom: WCA energy for atom 0: -6.909718345777E+00 WCA energy for atom 1: -6.909411348230E+00 Total WCA energy: -13.8191 kJ/mol Total non-polar energy = -1.365306965532E+01 kJ/mol ---------------------------------------- PRINT STATEMENTS print energy 1 (solv) - 2 (ref) end Local net energy (PE 0) = -1.125191605614E+03 kJ/mol Global net ELEC energy = -1.125191605614E+03 kJ/mol print force 1 (solv) - 2 (ref) end Printing per-atom forces (kJ/mol/A). Legend: tot n -- Total force for atom n qf n -- Fixed charge force for atom n db n -- Dielectric boundary force for atom n ib n -- Ionic boundary force for atom n tot all -- Total force for system qf 0 8.398642197664E+01 -1.324564205076E-05 -1.613435977326E-05 ib 0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 db 0 6.148357059184E+00 -2.667517413392E-05 -5.378919659067E-05 tot 0 9.013477903582E+01 -3.992081618468E-05 -6.992355636393E-05 qf 1 -8.466423642737E+01 -1.836748193928E-05 -3.062224135623E-05 ib 1 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 db 1 2.882739230549E+00 -3.149946352349E-05 -6.291495496106E-05 tot 1 -8.178149719682E+01 -4.986694546277E-05 -9.353719631729E-05 tot all 8.353281839002E+00 -8.978776164745E-05 -1.634607526812E-04 print APOL energy 1 (asolv) end Global net APOL energy = -1.365306965532E+01 kJ/mol print APOL force 1 (asolv) end Printing per atom forces (kJ/mol/A) Legend: tot n -- Total force for atom n sasa n -- SASA force for atom n sav n -- SAV force for atom n wca n -- WCA force for atom n tot all -- Total force for system sasa 0 -1.099776974333E+01 0.000000000000E+00 0.000000000000E+00 sav 0 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 wca 0 -5.826577103767E-01 -2.766566538180E-05 -2.766098638935E-05 tot 0 -1.158042745371E+01 -2.766566538180E-05 -2.766098638935E-05 sasa 1 1.111862435589E+01 0.000000000000E+00 0.000000000000E+00 sav 1 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 wca 1 5.826650307914E-01 -2.767034437463E-05 -2.767796940038E-05 tot 1 1.170128938668E+01 -2.767034437463E-05 -2.767796940038E-05 tot all 1.208619329787E-01 -5.533600975643E-05 -5.533895578973E-05 ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 1 molecules Final memory usage: 60.711 MB total, 62.250 MB high water Thanks for using APBS! Checking for intermidiate energies in input file ion-pmf.out RESULT 7839.535983197 RESULT 8964.727588811 RESULT -1125.191605614 RESULT -13.65306965532 Testing computed result 7.839535983197E+03 against expected result 7.839536E+03 *** PASSED *** Testing computed result 8.964727588811E+03 against expected result 8.964728E+03 *** PASSED *** Testing computed result -1.125191605614E+03 against expected result -1.125192E+03 *** PASSED *** Elapsed time: 7.678911 seconds -------------------------------------------------------------------------------- Total elapsed time: 7.678911 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for ion-protein section -------------------------------------------------------------------------------- Testing input file apbs-mol-pdiel2.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-pdiel2.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-pdiel2.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from small491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 259 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 1.97e+01 e Reading PQR-format atom data from 491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (2.998e+02, 1.629e+02, 8.934e+01) Net charge 2.00e+00 e Reading PQR-format atom data from complex.pqr. 260 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 2.17e+01 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (protein): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.491 MB total, 518.491 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 1 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 7.525554553704E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (ion): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 499.862 MB total, 518.560 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 2 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.967613272771E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.565 MB total, 518.565 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 3 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.050875942181E+04 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (protein) - 2 (ion) end Local net energy (PE 0) = 1.559159533658E+01 kJ/mol Global net ELEC energy = 1.559159533658E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 518.565 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-pdiel2.out RESULT 7525.554553704 RESULT 2967.613272771 RESULT 10508.75942181 RESULT 15.59159533658 Testing computed result 7.525554553704E+03 against expected result 7.525555E+03 *** PASSED *** Testing computed result 2.967613272771E+03 against expected result 2.967613E+03 *** PASSED *** Testing computed result 1.050875942181E+04 against expected result 1.050876E+04 *** PASSED *** Testing computed result 1.559159533658E+01 against expected result 1.559160E+01 *** PASSED *** Elapsed time: 11.868881 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-pdiel2.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-pdiel2.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-pdiel2.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from small491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 259 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 1.97e+01 e Reading PQR-format atom data from 491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (2.998e+02, 1.629e+02, 8.934e+01) Net charge 2.00e+00 e Reading PQR-format atom data from complex.pqr. 260 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 2.17e+01 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (protein): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.491 MB total, 518.491 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 1 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 7.561237446444E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (ion): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 499.862 MB total, 518.560 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 2 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.974076897757E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.565 MB total, 518.565 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 3 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.055886976547E+04 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (protein) - 2 (ion) end Local net energy (PE 0) = 2.355542126539E+01 kJ/mol Global net ELEC energy = 2.355542126539E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 518.565 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-pdiel2.out RESULT 7561.237446444 RESULT 2974.076897757 RESULT 10558.86976547 RESULT 23.55542126539 Testing computed result 7.561237446444E+03 against expected result 7.561237E+03 *** PASSED *** Testing computed result 2.974076897757E+03 against expected result 2.974077E+03 *** PASSED *** Testing computed result 1.055886976547E+04 against expected result 1.055887E+04 *** PASSED *** Testing computed result 2.355542126539E+01 against expected result 2.355542E+01 *** PASSED *** Elapsed time: 11.320082 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-mol-pdiel12.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-pdiel12.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-pdiel12.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from small491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 259 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 1.97e+01 e Reading PQR-format atom data from 491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (2.998e+02, 1.629e+02, 8.934e+01) Net charge 2.00e+00 e Reading PQR-format atom data from complex.pqr. 260 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 2.17e+01 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (protein): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.491 MB total, 518.491 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 1 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 12.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.363584355927E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (ion): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 499.862 MB total, 518.560 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 2 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 12.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 5.110802147229E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.565 MB total, 518.565 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 3 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 12.000 Solvent dielectric: 78.400 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.892691797082E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (protein) - 2 (ion) end Local net energy (PE 0) = 1.802722643145E+01 kJ/mol Global net ELEC energy = 1.802722643145E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 518.565 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-pdiel12.out RESULT 1363.584355927 RESULT 511.0802147229 RESULT 1892.691797082 RESULT 18.02722643145 Testing computed result 1.363584355927E+03 against expected result 1.363584E+03 *** PASSED *** Testing computed result 5.110802147229E+02 against expected result 5.110802E+02 *** PASSED *** Testing computed result 1.892691797082E+03 against expected result 1.892692E+03 *** PASSED *** Testing computed result 1.802722643145E+01 against expected result 1.802723E+01 *** PASSED *** Elapsed time: 9.295492 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-pdiel12.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-pdiel12.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-pdiel12.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from small491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 259 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 1.97e+01 e Reading PQR-format atom data from 491.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (2.998e+02, 1.629e+02, 8.934e+01) Net charge 2.00e+00 e Reading PQR-format atom data from complex.pqr. 260 atoms Centered at (2.898e+02, 1.679e+02, 8.192e+01) Net charge 2.17e+01 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (protein): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.491 MB total, 518.491 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 1 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 12.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.366571366426E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (ion): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 499.862 MB total, 518.560 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 2 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 12.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 5.108315415905E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 13.5959 A Current memory usage: 518.565 MB total, 518.565 MB high water Using linear spline charge discretization. Grid dimensions: 129 x 129 x 129 Grid spacings: 0.523 x 0.523 x 0.586 Grid lengths: 67.000 x 67.000 x 75.000 Grid center: (289.756, 167.946, 81.925) Multigrid levels: 6 Molecule ID: 3 Nonlinear traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.050 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.050 M concentration 2.000 A-radius, -1.000 e-charge, 0.050 M concentration Solute dielectric: 12.000 Solvent dielectric: 78.400 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.896685358215E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (protein) - 2 (ion) end Local net energy (PE 0) = 1.928245019843E+01 kJ/mol Global net ELEC energy = 1.928245019843E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 518.565 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-pdiel12.out RESULT 1366.571366426 RESULT 510.8315415905 RESULT 1896.685358215 RESULT 19.28245019843 Testing computed result 1.366571366426E+03 against expected result 1.366571E+03 *** PASSED *** Testing computed result 5.108315415905E+02 against expected result 5.108315E+02 *** PASSED *** Testing computed result 1.896685358215E+03 against expected result 1.896685E+03 *** PASSED *** Testing computed result 1.928245019843E+01 against expected result 1.928245E+01 *** PASSED *** Elapsed time: 10.342757 seconds -------------------------------------------------------------------------------- Total elapsed time: 42.827212 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for pka-lig section -------------------------------------------------------------------------------- Testing input file apbs-mol-vdw.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-vdw.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-vdw.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from bx6_7_lig_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 47 atoms Centered at (2.482e+01, -3.315e+01, 2.154e+01) Net charge 1.11e-16 e Reading PQR-format atom data from bx6_7_apo_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 3423 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Reading PQR-format atom data from bx6_7_bin_apbs.pqr. 3470 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (lig-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 204.292 MB total, 204.292 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.224988750664E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (lig-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 204.292 MB total, 406.001 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.049695084686E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (pka-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 291.151 MB total, 406.001 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.818450789522E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (pka-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 291.151 MB total, 533.426 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.008254338259E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 292.063 MB total, 533.426 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.840918409896E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 292.063 MB total, 534.806 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.113304681884E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end Local net energy (PE 0) = 8.083515648803E+00 kJ/mol Global net ELEC energy = 8.083515648803E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 534.806 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-vdw.out RESULT 2224.988750664 RESULT 10496.95084686 RESULT 181845.0789522 RESULT 300825.4338259 RESULT 184091.8409896 RESULT 311330.4681884 RESULT 8.083515648803 Testing computed result 2.224988750664E+03 against expected result 2.224989E+03 *** PASSED *** Testing computed result 1.049695084686E+04 against expected result 1.049695E+04 *** PASSED *** Testing computed result 1.818450789522E+05 against expected result 1.818451E+05 *** PASSED *** Testing computed result 3.008254338259E+05 against expected result 3.008254E+05 *** PASSED *** Testing computed result 1.840918409896E+05 against expected result 1.840918E+05 *** PASSED *** Testing computed result 3.113304681884E+05 against expected result 3.113305E+05 *** PASSED *** Testing computed result 8.083515648803E+00 against expected result 8.083516E+00 *** PASSED *** Elapsed time: 10.597975 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-vdw.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-vdw.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-vdw.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from bx6_7_lig_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 47 atoms Centered at (2.482e+01, -3.315e+01, 2.154e+01) Net charge 1.11e-16 e Reading PQR-format atom data from bx6_7_apo_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 3423 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Reading PQR-format atom data from bx6_7_bin_apbs.pqr. 3470 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (lig-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 204.292 MB total, 204.292 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.226793167046E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (lig-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 204.292 MB total, 406.001 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.050504485887E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (pka-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 291.151 MB total, 406.001 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.827976621645E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (pka-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 291.151 MB total, 533.426 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.017228546773E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 292.063 MB total, 533.426 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.850819075387E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 292.063 MB total, 534.806 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.122488625388E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end Local net energy (PE 0) = 2.096300255720E+01 kJ/mol Global net ELEC energy = 2.096300255720E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 534.806 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-vdw.out RESULT 2226.793167046 RESULT 10505.04485887 RESULT 182797.6621645 RESULT 301722.8546773 RESULT 185081.9075387 RESULT 312248.8625388 RESULT 20.9630025572 Testing computed result 2.226793167046E+03 against expected result 2.226793E+03 *** PASSED *** Testing computed result 1.050504485887E+04 against expected result 1.050504E+04 *** PASSED *** Testing computed result 1.827976621645E+05 against expected result 1.827977E+05 *** PASSED *** Testing computed result 3.017228546773E+05 against expected result 3.017229E+05 *** PASSED *** Testing computed result 1.850819075387E+05 against expected result 1.850819E+05 *** PASSED *** Testing computed result 3.122488625388E+05 against expected result 3.122489E+05 *** PASSED *** Testing computed result 2.096300255720E+01 against expected result 2.096296E+01 *** PASSED *** Elapsed time: 9.070608 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-mol-surf.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol-surf.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol-surf.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from bx6_7_lig_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 47 atoms Centered at (2.482e+01, -3.315e+01, 2.154e+01) Net charge 1.11e-16 e Reading PQR-format atom data from bx6_7_apo_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 3423 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Reading PQR-format atom data from bx6_7_bin_apbs.pqr. 3470 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (lig-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 203.877 MB total, 203.877 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.244350164274E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (lig-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 203.877 MB total, 405.586 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.052149475373E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (pka-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.521 MB total, 405.586 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.862615690066E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (pka-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.521 MB total, 493.795 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.051810884053E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.858 MB total, 493.795 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.886625455219E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.858 MB total, 494.601 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.158218439277E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end Local net energy (PE 0) = 1.192607686582E+02 kJ/mol Global net ELEC energy = 1.192607686582E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 494.601 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol-surf.out RESULT 2244.350164274 RESULT 10521.49475373 RESULT 186261.5690066 RESULT 305181.0884053 RESULT 188662.5455219 RESULT 315821.8439277 RESULT 119.2607686582 Testing computed result 2.244350164274E+03 against expected result 2.244350E+03 *** PASSED *** Testing computed result 1.052149475373E+04 against expected result 1.052149E+04 *** PASSED *** Testing computed result 1.862615690066E+05 against expected result 1.862616E+05 *** PASSED *** Testing computed result 3.051810884053E+05 against expected result 3.051811E+05 *** PASSED *** Testing computed result 1.886625455219E+05 against expected result 1.886625E+05 *** PASSED *** Testing computed result 3.158218439277E+05 against expected result 3.158218E+05 *** PASSED *** Testing computed result 1.192607686582E+02 against expected result 1.192608E+02 *** PASSED *** Elapsed time: 9.239373 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol-surf.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol-surf.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol-surf.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from bx6_7_lig_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 47 atoms Centered at (2.482e+01, -3.315e+01, 2.154e+01) Net charge 1.11e-16 e Reading PQR-format atom data from bx6_7_apo_apbs.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 3423 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Reading PQR-format atom data from bx6_7_bin_apbs.pqr. 3470 atoms Centered at (2.897e+01, -3.251e+01, 2.702e+01) Net charge 1.00e+00 e Preparing to run 6 PBE calculations. ---------------------------------------- CALCULATION #1 (lig-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 203.877 MB total, 203.877 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.251466789420E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (lig-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 203.877 MB total, 405.586 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 1 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.052814502873E+04 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (pka-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.521 MB total, 405.586 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.864071689626E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #4 (pka-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.521 MB total, 493.795 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 2 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.053319953673E+05 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #5 (complex-coarse): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.858 MB total, 493.795 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.729 x 0.729 x 0.729 Grid lengths: 70.000 x 70.000 x 70.000 Grid center: (28.969, -32.507, 27.022) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Single Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.888027142979E+05 kJ/mol Calculating forces... [focusFillBound()]: WARNING: Unusually large potential values detected on the focusing boundary! Convergence not guaranteed for NPBE/NRPBE calculations! ---------------------------------------- CALCULATION #6 (complex-fine): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 251.858 MB total, 494.601 MB high water Using linear spline charge discretization. Grid dimensions: 97 x 97 x 97 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 24.000 x 24.000 x 24.000 Grid center: (24.822, -33.153, 21.545) Multigrid levels: 4 Molecule ID: 3 Linearized traditional PBE Boundary conditions from focusing 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 1.400 A Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 3.159690177241E+05 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 6 (complex-fine) - 2 (lig-fine) - 4 (pka-fine) end Local net energy (PE 0) = 1.088773280806E+02 kJ/mol Global net ELEC energy = 1.088773280806E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 494.601 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol-surf.out RESULT 2251.46678942 RESULT 10528.14502873 RESULT 186407.1689626 RESULT 305331.9953673 RESULT 188802.7142979 RESULT 315969.0177241 RESULT 108.8773280806 Testing computed result 2.251466789420E+03 against expected result 2.251467E+03 *** PASSED *** Testing computed result 1.052814502873E+04 against expected result 1.052815E+04 *** PASSED *** Testing computed result 1.864071689626E+05 against expected result 1.864072E+05 *** PASSED *** Testing computed result 3.053319953673E+05 against expected result 3.053320E+05 *** PASSED *** Testing computed result 1.888027142979E+05 against expected result 1.888027E+05 *** PASSED *** Testing computed result 3.159690177241E+05 against expected result 3.159690E+05 *** PASSED *** Testing computed result 1.088773280806E+02 against expected result 1.088773E+02 *** PASSED *** Elapsed time: 8.731485 seconds -------------------------------------------------------------------------------- Total elapsed time: 37.639441 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for point-pmf section -------------------------------------------------------------------------------- Testing input file complex-0_1.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: complex-0_1.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file complex-0_1.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol0.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (-3.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from mol1.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (-2.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from complex-0_1.pqr. 2 atoms Centered at (-2.500e+00, 0.000e+00, 0.000e+00) Net charge 2.00e+00 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (point1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.060 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.776035707281E+01 kJ/mol Fixed charge energy = 97.7604 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 96.5336 kJ/mol Per-atom energies: Atom 0: 9.776035707281E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (point2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.067 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 8.975920687031E+01 kJ/mol Fixed charge energy = 89.7592 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 88.6151 kJ/mol Per-atom energies: Atom 0: 8.975920687031E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.067 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.058277719334E+02 kJ/mol Fixed charge energy = 205.828 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 201.106 kJ/mol Per-atom energies: Atom 0: 1.069144350786E+02 kJ/mol Atom 1: 9.891333685475E+01 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (point1) - 2 (point2) end Local net energy (PE 0) = 1.830820799027E+01 kJ/mol Global net ELEC energy = 1.830820799027E+01 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 61.067 MB high water Thanks for using APBS! Checking for intermidiate energies in input file complex-0_1.out RESULT 97.76035707281 RESULT 89.75920687031 RESULT 205.8277719334 RESULT 0.0 RESULT 0.0 RESULT 0.0 RESULT 97.7604 RESULT 89.7592 RESULT 205.828 RESULT 96.5336 RESULT 88.6151 RESULT 201.106 RESULT 18.30820799027 Testing computed result 9.776035707281E+01 against expected result 9.776036E+01 *** PASSED *** Testing computed result 8.975920687031E+01 against expected result 8.975921E+01 *** PASSED *** Testing computed result 2.058277719334E+02 against expected result 2.058278E+02 *** PASSED *** Testing computed result 9.776040000000E+01 against expected result 9.776040E+01 *** PASSED *** Testing computed result 8.975920000000E+01 against expected result 8.975920E+01 *** PASSED *** Testing computed result 2.058280000000E+02 against expected result 2.058280E+02 *** PASSED *** Testing computed result 9.653360000000E+01 against expected result 9.653360E+01 *** PASSED *** Testing computed result 8.861510000000E+01 against expected result 8.861510E+01 *** PASSED *** Testing computed result 2.011060000000E+02 against expected result 2.011060E+02 *** PASSED *** Testing computed result 1.830820799027E+01 against expected result 1.830821E+01 *** PASSED *** Elapsed time: 0.463741 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file complex-0_2.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: complex-0_2.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file complex-0_2.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol0.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (-3.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from mol2.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (-1.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from complex-0_2.pqr. 2 atoms Centered at (-2.000e+00, 0.000e+00, 0.000e+00) Net charge 2.00e+00 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (point1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.060 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.776035707281E+01 kJ/mol Fixed charge energy = 97.7604 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 96.5336 kJ/mol Per-atom energies: Atom 0: 9.776035707281E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (point2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.067 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.017611498797E+02 kJ/mol Fixed charge energy = 101.761 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 100.656 kJ/mol Per-atom energies: Atom 0: 1.017611498797E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.068 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.084282010393E+02 kJ/mol Fixed charge energy = 208.428 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 203.83 kJ/mol Per-atom energies: Atom 0: 1.022136878480E+02 kJ/mol Atom 1: 1.062145131913E+02 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (point1) - 2 (point2) end Local net energy (PE 0) = 8.906694086751E+00 kJ/mol Global net ELEC energy = 8.906694086751E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 61.068 MB high water Thanks for using APBS! Checking for intermidiate energies in input file complex-0_2.out RESULT 97.76035707281 RESULT 101.7611498797 RESULT 208.4282010393 RESULT 0.0 RESULT 0.0 RESULT 0.0 RESULT 97.7604 RESULT 101.761 RESULT 208.428 RESULT 96.5336 RESULT 100.656 RESULT 203.83 RESULT 8.906694086751 Testing computed result 9.776035707281E+01 against expected result 9.776036E+01 *** PASSED *** Testing computed result 1.017611498797E+02 against expected result 1.017611E+02 *** PASSED *** Testing computed result 2.084282010393E+02 against expected result 2.084282E+02 *** PASSED *** Testing computed result 9.776040000000E+01 against expected result 9.776040E+01 *** PASSED *** Testing computed result 1.017610000000E+02 against expected result 1.017610E+02 *** PASSED *** Testing computed result 2.084280000000E+02 against expected result 2.084280E+02 *** PASSED *** Testing computed result 9.653360000000E+01 against expected result 9.653360E+01 *** PASSED *** Testing computed result 1.006560000000E+02 against expected result 1.006560E+02 *** PASSED *** Testing computed result 2.038300000000E+02 against expected result 2.038300E+02 *** PASSED *** Testing computed result 8.906694086751E+00 against expected result 8.906694E+00 *** PASSED *** Elapsed time: 0.431868 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file complex-0_3.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: complex-0_3.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file complex-0_3.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol0.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (-3.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from mol3.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (0.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from complex-0_3.pqr. 2 atoms Centered at (-1.500e+00, 0.000e+00, 0.000e+00) Net charge 2.00e+00 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (point1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.060 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.776035707281E+01 kJ/mol Fixed charge energy = 97.7604 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 96.5336 kJ/mol Per-atom energies: Atom 0: 9.776035707281E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (point2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.067 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.337661883222E+02 kJ/mol Fixed charge energy = 133.766 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 132.672 kJ/mol Per-atom energies: Atom 0: 1.337661883222E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.068 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.374361452120E+02 kJ/mol Fixed charge energy = 237.436 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 232.924 kJ/mol Per-atom energies: Atom 0: 1.007151570480E+02 kJ/mol Atom 1: 1.367209881640E+02 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (point1) - 2 (point2) end Local net energy (PE 0) = 5.909599816984E+00 kJ/mol Global net ELEC energy = 5.909599816984E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 61.068 MB high water Thanks for using APBS! Checking for intermidiate energies in input file complex-0_3.out RESULT 97.76035707281 RESULT 133.7661883222 RESULT 237.436145212 RESULT 0.0 RESULT 0.0 RESULT 0.0 RESULT 97.7604 RESULT 133.766 RESULT 237.436 RESULT 96.5336 RESULT 132.672 RESULT 232.924 RESULT 5.909599816984 Testing computed result 9.776035707281E+01 against expected result 9.776036E+01 *** PASSED *** Testing computed result 1.337661883222E+02 against expected result 1.337662E+02 *** PASSED *** Testing computed result 2.374361452120E+02 against expected result 2.374361E+02 *** PASSED *** Testing computed result 9.776040000000E+01 against expected result 9.776040E+01 *** PASSED *** Testing computed result 1.337660000000E+02 against expected result 1.337660E+02 *** PASSED *** Testing computed result 2.374360000000E+02 against expected result 2.374360E+02 *** PASSED *** Testing computed result 9.653360000000E+01 against expected result 9.653360E+01 *** PASSED *** Testing computed result 1.326720000000E+02 against expected result 1.326720E+02 *** PASSED *** Testing computed result 2.329240000000E+02 against expected result 2.329240E+02 *** PASSED *** Testing computed result 5.909599816984E+00 against expected result 5.909600E+00 *** PASSED *** Elapsed time: 0.449537 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file complex-0_4.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: complex-0_4.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file complex-0_4.in... rank 0 size 1... Parsed input file. Got paths for 3 molecules Reading PQR-format atom data from mol0.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (-3.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from mol4.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 1 atoms Centered at (1.000e+00, 0.000e+00, 0.000e+00) Net charge 1.00e+00 e Reading PQR-format atom data from complex-0_4.pqr. 2 atoms Centered at (-1.000e+00, 0.000e+00, 0.000e+00) Net charge 2.00e+00 e Preparing to run 3 PBE calculations. ---------------------------------------- CALCULATION #1 (point1): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.060 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 9.776035707281E+01 kJ/mol Fixed charge energy = 97.7604 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 96.5336 kJ/mol Per-atom energies: Atom 0: 9.776035707281E+01 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (point2): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.060 MB total, 61.067 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 1.017611498797E+02 kJ/mol Fixed charge energy = 101.761 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 100.654 kJ/mol Per-atom energies: Atom 0: 1.017611498797E+02 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (complex): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (0 A) for exclusion function Debye length: 0 A Current memory usage: 61.061 MB total, 61.068 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.210 x 0.210 x 0.210 Grid lengths: 13.440 x 13.440 x 13.440 Grid center: (0.000, 0.000, 0.000) Multigrid levels: 5 Molecule ID: 3 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 0 ion species (0.000 M ionic strength): Solute dielectric: 78.540 Solvent dielectric: 78.540 Using spline-based surface definition;window = 0.300 Temperature: 298.150 K Electrostatic energies will be calculated Total electrostatic energy = 2.039516519000E+02 kJ/mol Fixed charge energy = 203.952 kJ/mol Mobile charge energy = 0 kJ/mol Dielectric energy = 199.493 kJ/mol Per-atom energies: Atom 0: 9.997541697022E+01 kJ/mol Atom 1: 1.039762349297E+02 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 3 (complex) - 1 (point1) - 2 (point2) end Local net energy (PE 0) = 4.430144947418E+00 kJ/mol Global net ELEC energy = 4.430144947418E+00 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 3 molecules Final memory usage: 0.001 MB total, 61.068 MB high water Thanks for using APBS! Checking for intermidiate energies in input file complex-0_4.out RESULT 97.76035707281 RESULT 101.7611498797 RESULT 203.9516519 RESULT 0.0 RESULT 0.0 RESULT 0.0 RESULT 97.7604 RESULT 101.761 RESULT 203.952 RESULT 96.5336 RESULT 100.654 RESULT 199.493 RESULT 4.430144947418 Testing computed result 9.776035707281E+01 against expected result 9.776036E+01 *** PASSED *** Testing computed result 1.017611498797E+02 against expected result 1.017611E+02 *** PASSED *** Testing computed result 2.039516519000E+02 against expected result 2.039517E+02 *** PASSED *** Testing computed result 9.776040000000E+01 against expected result 9.776040E+01 *** PASSED *** Testing computed result 1.017610000000E+02 against expected result 1.017610E+02 *** PASSED *** Testing computed result 2.039520000000E+02 against expected result 2.039520E+02 *** PASSED *** Testing computed result 9.653360000000E+01 against expected result 9.653360E+01 *** PASSED *** Testing computed result 1.006540000000E+02 against expected result 1.006540E+02 *** PASSED *** Testing computed result 1.994930000000E+02 against expected result 1.994930E+02 *** PASSED *** Testing computed result 4.430144947418E+00 against expected result 4.430145E+00 *** PASSED *** Elapsed time: 0.439703 seconds -------------------------------------------------------------------------------- Total elapsed time: 1.784849 seconds Test results have been logged -------------------------------------------------------------------------------- Running tests for solv section -------------------------------------------------------------------------------- Testing input file apbs-mol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-mol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-mol.in... rank 0 size 1... Parsed input file. Got paths for 2 molecules Reading PQR-format atom data from methanol.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 3 atoms Centered at (3.086e-01, 0.000e+00, -2.417e-01) Net charge 5.55e-17 e Reading PQR-format atom data from methoxide.pqr. 2 atoms Centered at (0.000e+00, 0.000e+00, -1.279e-01) Net charge -1.00e+00 e Preparing to run 4 PBE calculations. ---------------------------------------- CALCULATION #1 (methanol-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.253 MB total, 61.253 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.309, 0.000, -0.242) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.847663548071E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (methanol-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.253 MB total, 61.328 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.309, 0.000, -0.242) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.883912182952E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (methoxide-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.250 MB total, 61.328 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.000, 0.000, -0.128) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 2.732623683321E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (methoxide-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.250 MB total, 61.328 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.000, 0.000, -0.128) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 1.000 Using "molecular" surface definition; no smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.123035854133E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (methanol-solv) - 2 (methanol-ref) end Local net energy (PE 0) = -3.624863488074E+01 kJ/mol Global net ELEC energy = -3.624863488074E+01 kJ/mol print energy 3 (methoxide-solv) - 4 (methoxide-ref) end Local net energy (PE 0) = -3.904121708125E+02 kJ/mol Global net ELEC energy = -3.904121708125E+02 kJ/mol print energy 3 (methoxide-solv) - 4 (methoxide-ref) - 1 (methanol-solv) + 2 (methanol-ref) end Local net energy (PE 0) = -3.541635359318E+02 kJ/mol Global net ELEC energy = -3.541635359318E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 2 molecules Final memory usage: 0.001 MB total, 61.328 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-mol.out RESULT 1847.663548071 RESULT 1883.912182952 RESULT 2732.623683321 RESULT 3123.035854133 RESULT -36.24863488074 RESULT -390.4121708125 RESULT -354.1635359318 Testing computed result 1.847663548071E+03 against expected result 1.847664E+03 *** PASSED *** Testing computed result 1.883912182952E+03 against expected result 1.883912E+03 *** PASSED *** Testing computed result 2.732623683321E+03 against expected result 2.732624E+03 *** PASSED *** Testing computed result 3.123035854133E+03 against expected result 3.123036E+03 *** PASSED *** Testing computed result -3.624863488074E+01 against expected result -3.624863E+01 *** PASSED *** Testing computed result -3.904121708125E+02 against expected result -3.904121E+02 *** PASSED *** Testing computed result -3.541635359318E+02 against expected result -3.541635E+02 *** PASSED *** Elapsed time: 0.737661 seconds -------------------------------------------------------------------------------- -------------------------------------------------------------------------------- Testing input file apbs-smol.in BINARY: /builddir/build/BUILD/apbs-3.0.0/build/bin/apbs INPUT: apbs-smol.in asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. ---------------------------------------------------------------------- APBS -- Adaptive Poisson-Boltzmann Solver Version 3.0 Nathan A. Baker (nathan.baker@pnnl.gov) Pacific Northwest National Laboratory Additional contributing authors listed in the code documentation. Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the Pacific Northwest National Laboratory, operated by Battelle Memorial Institute, Pacific Northwest Division for the U.S. Department of Energy. Portions Copyright (c) 2002-2010, Washington University in St. Louis. Portions Copyright (c) 2002-2020, Nathan A. Baker. Portions Copyright (c) 1999-2002, The Regents of the University of California. Portions Copyright (c) 1995, Michael Holst. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the developer nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ---------------------------------------------------------------------- APBS uses FETK (the Finite Element ToolKit) to solve the Poisson-Boltzmann equation numerically. FETK is a portable collection of finite element modeling class libraries developed by the Michael Holst research group and written in an object-oriented form of C. FEtk is designed to solve general coupled systems of nonlinear partial differential equations using adaptive finite element methods, inexact Newton methods, and algebraic multilevel methods. More information about FEtk may be found at . ---------------------------------------------------------------------- APBS also uses Aqua to solve the Poisson-Boltzmann equation numerically. Aqua is a modified form of the Holst group PMG library which has been modified by Patrice Koehl for improved efficiency and memory usage when solving the Poisson-Boltzmann equation. ---------------------------------------------------------------------- Please cite your use of APBS as: Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc. Natl. Acad. Sci. USA 98, 10037-10041 2001. This executable compiled on Jul 19 2023 at 00:00:00 Parsing input file apbs-smol.in... rank 0 size 1... Parsed input file. Got paths for 2 molecules Reading PQR-format atom data from methanol.pqr. asc_getToken: Error occurred (bailing out). Vio_scanf: Format problem with input. 3 atoms Centered at (3.086e-01, 0.000e+00, -2.417e-01) Net charge 5.55e-17 e Reading PQR-format atom data from methoxide.pqr. 2 atoms Centered at (0.000e+00, 0.000e+00, -1.279e-01) Net charge -1.00e+00 e Preparing to run 4 PBE calculations. ---------------------------------------- CALCULATION #1 (methanol-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.253 MB total, 61.253 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.309, 0.000, -0.242) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.847860440020E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #2 (methanol-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.253 MB total, 61.328 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.309, 0.000, -0.242) Multigrid levels: 5 Molecule ID: 1 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 1.885436377745E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #3 (methoxide-solv): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.250 MB total, 61.328 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.000, 0.000, -0.128) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 78.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 2.734040568569E+03 kJ/mol Calculating forces... ---------------------------------------- CALCULATION #4 (methoxide-ref): MULTIGRID Setting up problem... Vpbe_ctor: Using max ion radius (2 A) for exclusion function Debye length: 0 A Current memory usage: 61.250 MB total, 61.328 MB high water Using linear spline charge discretization. Grid dimensions: 65 x 65 x 65 Grid spacings: 0.250 x 0.250 x 0.250 Grid lengths: 16.000 x 16.000 x 16.000 Grid center: (0.000, 0.000, -0.128) Multigrid levels: 5 Molecule ID: 2 Linearized traditional PBE Multiple Debye-Huckel sphere boundary conditions 2 ion species (0.000 M ionic strength): 2.000 A-radius, 1.000 e-charge, 0.000 M concentration 2.000 A-radius, -1.000 e-charge, 0.000 M concentration Solute dielectric: 2.000 Solvent dielectric: 1.000 Using "molecular" surface definition;harmonic average smoothing Solvent probe radius: 0.000 A Temperature: 300.000 K Electrostatic energies will be calculated Total electrostatic energy = 3.125279428954E+03 kJ/mol Calculating forces... ---------------------------------------- PRINT STATEMENTS print energy 1 (methanol-solv) - 2 (methanol-ref) end Local net energy (PE 0) = -3.757593772492E+01 kJ/mol Global net ELEC energy = -3.757593772492E+01 kJ/mol print energy 3 (methoxide-solv) - 4 (methoxide-ref) end Local net energy (PE 0) = -3.912388603848E+02 kJ/mol Global net ELEC energy = -3.912388603848E+02 kJ/mol print energy 3 (methoxide-solv) - 4 (methoxide-ref) - 1 (methanol-solv) + 2 (methanol-ref) end Local net energy (PE 0) = -3.536629226599E+02 kJ/mol Global net ELEC energy = -3.536629226599E+02 kJ/mol ---------------------------------------- CLEANING UP AND SHUTTING DOWN... Destroying force arrays. No energy arrays to destroy. Destroying multigrid structures. Destroying 2 molecules Final memory usage: 0.001 MB total, 61.328 MB high water Thanks for using APBS! Checking for intermidiate energies in input file apbs-smol.out RESULT 1847.86044002 RESULT 1885.436377745 RESULT 2734.040568569 RESULT 3125.279428954 RESULT -37.57593772492 RESULT -391.2388603848 RESULT -353.6629226599 Testing computed result 1.847860440020E+03 against expected result 1.847860E+03 *** PASSED *** Testing computed result 1.885436377745E+03 against expected result 1.885436E+03 *** PASSED *** Testing computed result 2.734040568569E+03 against expected result 2.734041E+03 *** PASSED *** Testing computed result 3.125279428954E+03 against expected result 3.125279E+03 *** PASSED *** Testing computed result -3.757593772492E+01 against expected result -3.757594E+01 *** PASSED *** Testing computed result -3.912388603848E+02 against expected result -3.912388E+02 *** PASSED *** Testing computed result -3.536629226599E+02 against expected result -3.536629E+02 *** PASSED *** Elapsed time: 0.824663 seconds -------------------------------------------------------------------------------- Total elapsed time: 1.562324 seconds Test results have been logged -------------------------------------------------------------------------------- + RPM_EC=0 ++ jobs -p + exit 0 Processing files: apbs-3.0.0-20.fc40.s390x Provides: apbs = 3.0.0-20.fc40 apbs(s390-64) = 3.0.0-20.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libapbs.so.1()(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.2)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.4)(64bit) libm.so.6()(64bit) libmaloc.so.1()(64bit) rtld(GNU_HASH) Processing files: apbs-tools-3.0.0-20.fc40.s390x warning: absolute symlink: /usr/bin/apbs-psize.py -> /usr/lib64/python3.12/site-packages/apbs/psize.py Provides: apbs-tools = 3.0.0-20.fc40 apbs-tools(s390-64) = 3.0.0-20.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libapbs.so.1()(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.2)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_2.7)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmaloc.so.1()(64bit) rtld(GNU_HASH) Processing files: apbs-libs-3.0.0-20.fc40.s390x Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.oO7X55 + umask 022 + cd /builddir/build/BUILD + cd apbs-3.0.0 + DOCDIR=/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/doc/apbs-libs + export LC_ALL= + LC_ALL= + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/doc/apbs-libs + cp -pr /builddir/build/BUILD/apbs-3.0.0/README.md /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/doc/apbs-libs + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.A5zQMV + umask 022 + cd /builddir/build/BUILD + cd apbs-3.0.0 + LICENSEDIR=/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-libs + export LC_ALL= + LC_ALL= + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-libs + cp -pr /builddir/build/BUILD/apbs-3.0.0/LICENSE.md /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-libs + cp -pr /builddir/build/BUILD/apbs-3.0.0/COPYING /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-libs + cp -pr /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/iapbs-COPYING /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-libs + cp -pr /builddir/build/BUILD/apbs-3.0.0/contrib/iapbs/iapbs-LGPLv2 /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-libs + RPM_EC=0 ++ jobs -p + exit 0 Provides: apbs-libs = 3.0.0-20.fc40 apbs-libs(s390-64) = 3.0.0-20.fc40 libapbs.so.1()(64bit) 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_2.2)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_2.7)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2)(64bit) libm.so.6(GLIBC_2.29)(64bit) rtld(GNU_HASH) Processing files: apbs-devel-3.0.0-20.fc40.s390x Provides: apbs-devel = 3.0.0-20.fc40 apbs-devel(s390-64) = 3.0.0-20.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libapbs.so.1()(64bit) Processing files: apbs-doc-3.0.0-20.fc40.noarch Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.PxlakN + umask 022 + cd /builddir/build/BUILD + cd apbs-3.0.0 + DOCDIR=/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/doc/apbs-doc + export LC_ALL= + LC_ALL= + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/doc/apbs-doc + cp -pr /builddir/build/BUILD/apbs-3.0.0/build/doc /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/doc/apbs-doc + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.iXGGdd + umask 022 + cd /builddir/build/BUILD + cd apbs-3.0.0 + LICENSEDIR=/builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-doc + export LC_ALL= + LC_ALL= + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-doc + cp -pr /builddir/build/BUILD/apbs-3.0.0/LICENSE.md /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x/usr/share/licenses/apbs-doc + RPM_EC=0 ++ jobs -p + exit 0 Provides: apbs-doc = 3.0.0-20.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: python3-apbs-3.0.0-20.fc40.s390x Provides: python-apbs = 3.0.0-20.fc40 python3-apbs = 3.0.0-20.fc40 python3-apbs(s390-64) = 3.0.0-20.fc40 python3.12-apbs = 3.0.0-20.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/python3 libc.so.6()(64bit) libc.so.6(GLIBC_2.2)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_2.7)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmaloc.so.1()(64bit) libpython3.12.so.1.0()(64bit) python(abi) = 3.12 rtld(GNU_HASH) Obsoletes: apbs-libs < 0:3.0.0-11 python-apbs < 3.0.0-20.fc40 Processing files: apbs-debugsource-3.0.0-20.fc40.s390x Provides: apbs-debugsource = 3.0.0-20.fc40 apbs-debugsource(s390-64) = 3.0.0-20.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: apbs-debuginfo-3.0.0-20.fc40.s390x Provides: apbs-debuginfo = 3.0.0-20.fc40 apbs-debuginfo(s390-64) = 3.0.0-20.fc40 debuginfo(build-id) = 7afc1cad6195e4c1b6833d118312eee04ea76eac Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: apbs-debugsource(s390-64) = 3.0.0-20.fc40 Processing files: apbs-tools-debuginfo-3.0.0-20.fc40.s390x Provides: apbs-tools-debuginfo = 3.0.0-20.fc40 apbs-tools-debuginfo(s390-64) = 3.0.0-20.fc40 debuginfo(build-id) = 19012f699c8203aa2269ac14fc5c0152e6621249 debuginfo(build-id) = 2c0005838c4777a34eb09aa57bf2217d2955ea6c debuginfo(build-id) = 406b797efca48c29c01f7a6a51230ae3e29f7f00 debuginfo(build-id) = 41856f998c671ab0cd8d827f1a72cdab0b244b80 debuginfo(build-id) = 5adfb8ba4836f21cb672023d07943ba9cc43bba9 debuginfo(build-id) = 6a47f7b05e3d0263f4e25bd42be14a2f9c3c3fc2 debuginfo(build-id) = 81520135e2b1e6f2951dcca18276effa882dd995 debuginfo(build-id) = 9543916a83e75a30777ddc9179ec4b94aa2f8bc0 debuginfo(build-id) = 9561ca73d6d8570884c063ed0cd68e7531362c88 debuginfo(build-id) = a6c67ecae837dcc9c75bca4dab406f8f2f62e201 debuginfo(build-id) = b60433cb5ee0f5fa45f2d0dc2fa1b9f5e9f1a3f3 debuginfo(build-id) = bd53c9e87433c51eaba3fedae2fa2df704d5572e debuginfo(build-id) = cfa86c726fd3ed75cd5b6683813b365edb574111 debuginfo(build-id) = d63d1afaf1d1eb2645716ca660e7e60b7eb536e3 debuginfo(build-id) = e9623be3bdeba37cf3094a8c1c01266362dc08e9 debuginfo(build-id) = ed528fc018e1d7b8d0edf14ddd480af000ff19fe debuginfo(build-id) = f784cca5acaa69534fa4d0fa5d9b31a124ba9694 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: apbs-debugsource(s390-64) = 3.0.0-20.fc40 Processing files: apbs-libs-debuginfo-3.0.0-20.fc40.s390x Provides: apbs-libs-debuginfo = 3.0.0-20.fc40 apbs-libs-debuginfo(s390-64) = 3.0.0-20.fc40 debuginfo(build-id) = f7af13103b1a1bc57918e7bf2bcd046eac4d60d0 libapbs.so.1-3.0.0-20.fc40.s390x.debug()(64bit) Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: apbs-debugsource(s390-64) = 3.0.0-20.fc40 Processing files: python3-apbs-debuginfo-3.0.0-20.fc40.s390x Provides: debuginfo(build-id) = 1d46bccd5899078010aa683356e24a440bdfb19c python-apbs-debuginfo = 3.0.0-20.fc40 python3-apbs-debuginfo = 3.0.0-20.fc40 python3-apbs-debuginfo(s390-64) = 3.0.0-20.fc40 python3.12-apbs-debuginfo = 3.0.0-20.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: apbs-debugsource(s390-64) = 3.0.0-20.fc40 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x Wrote: /builddir/build/RPMS/apbs-debugsource-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/python3-apbs-debuginfo-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-libs-debuginfo-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/python3-apbs-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-libs-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-devel-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-tools-debuginfo-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-debuginfo-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-tools-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-3.0.0-20.fc40.s390x.rpm Wrote: /builddir/build/RPMS/apbs-doc-3.0.0-20.fc40.noarch.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.Higihd + umask 022 + cd /builddir/build/BUILD + cd apbs-3.0.0 + /usr/bin/rm -rf /builddir/build/BUILDROOT/apbs-3.0.0-20.fc40.s390x + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.JYkpBo + umask 022 + cd /builddir/build/BUILD + rm -rf /builddir/build/BUILD/apbs-3.0.0-SPECPARTS + rm -rf apbs-3.0.0 apbs-3.0.0.gemspec + RPM_EC=0 ++ jobs -p + exit 0 RPM build warnings: %patchN is deprecated (4 usages found), use %patch N (or %patch -P N) absolute symlink: /usr/bin/apbs-psize.py -> /usr/lib64/python3.12/site-packages/apbs/psize.py Finish: rpmbuild apbs-3.0.0-20.fc40.src.rpm Finish: build phase for apbs-3.0.0-20.fc40.src.rpm INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root/var/log/dnf.rpm.log /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root/var/log/dnf.librepo.log /var/lib/mock/fedora-rawhide-s390x-1695066821.691853/root/var/log/dnf.log INFO: Done(/var/lib/copr-rpmbuild/results/apbs-3.0.0-20.fc40.src.rpm) Config(child) 20 minutes 9 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot Finish: run Running RPMResults tool Package info: { "packages": [ { "name": "apbs-devel", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs-debuginfo", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs-debugsource", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs-libs-debuginfo", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "python3-apbs", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs-doc", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "noarch" }, { "name": "apbs", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs-tools-debuginfo", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs-libs", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs-tools", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" }, { "name": "apbs", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "src" }, { "name": "python3-apbs-debuginfo", "epoch": null, "version": "3.0.0", "release": "20.fc40", "arch": "s390x" } ] } RPMResults finished