Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c299' (ED25519) to the list of known hosts. Running: /usr/bin/copr-rpmbuild --verbose --drop-resultdir --build-id 5187695 --chroot fedora-rawhide-ppc64le --detached Version: 0.62 PID: 5482 Logging PID: 5483 Task: {'appstream': False, 'background': True, 'build_id': 5187695, 'buildroot_pkgs': [], 'chroot': 'fedora-rawhide-ppc64le', 'enable_net': False, 'fedora_review': False, 'git_hash': '680437f5fc8d9871236e060503e13effbfde1827', 'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/jakub/gcc-13-test/xtb', 'isolation': 'default', 'memory_reqs': 2048, 'package_name': 'xtb', 'package_version': '6.5.1-1', 'project_dirname': 'gcc-13-test', 'project_name': 'gcc-13-test', 'project_owner': 'jakub', 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/jakub/gcc-13-test/fedora-rawhide-ppc64le/', 'id': 'copr_base', 'name': 'Copr repository'}, {'baseurl': 'https://jakub.fedorapeople.org/fedora-gcc13-$arch/', 'id': 'https_jakub_fedorapeople_org_fedora_gcc13_arch', 'name': 'Additional repo https_jakub_fedorapeople_org_fedora_gcc13_arch'}], 'sandbox': 'jakub/gcc-13-test--jakub', 'source_json': {}, 'source_type': None, 'submitter': 'jakub', 'tags': [], 'task_id': '5187695-fedora-rawhide-ppc64le', 'timeout': 115200, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/jakub/gcc-13-test/xtb /var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb --depth 500 --no-single-branch --recursive cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/jakub/gcc-13-test/xtb', '/var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb'... Running: git checkout 680437f5fc8d9871236e060503e13effbfde1827 cmd: ['git', 'checkout', '680437f5fc8d9871236e060503e13effbfde1827'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb rc: 0 stdout: stderr: Note: switching to '680437f5fc8d9871236e060503e13effbfde1827'. 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 680437f automatic import of xtb Running: copr-distgit-client sources /usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated cmd: ['copr-distgit-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb rc: 0 stdout: 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 xtb-6.5.1.tar.gz INFO: Calling: curl -H Pragma: -o xtb-6.5.1.tar.gz --location --remote-time --show-error --fail https://copr-dist-git.fedorainfracloud.org/repo/pkgs/jakub/gcc-13-test/xtb/xtb-6.5.1.tar.gz/md5/79d50056998c3f0f21d7f327e2099719/xtb-6.5.1.tar.gz % Total % Received % Xferd Average Speed Time Time Time Current Dload Upload Total Spent Left Speed 100 1358k 100 1358k 0 0 7096k 0 --:--:-- --:--:-- --:--:-- 7112k INFO: Reading stdout from command: md5sum xtb-6.5.1.tar.gz Running (timeout=115200): unbuffer mock --buildsrpm --spec /var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb/xtb.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1672378150.983452 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 3.5 starting (python version = 3.11.0, NVR = mock-3.5-1.fc37)... 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-zi7gdgd6/xtb/xtb.spec) Config(fedora-rawhide-ppc64le) Start: clean chroot Finish: clean chroot Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-ppc64le-bootstrap-1672378150.983452/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: enabled HW Info plugin Mock Version: 3.5 INFO: Mock Version: 3.5 Start(bootstrap): dnf install No matches found for the following disable plugin patterns: local, spacewalk, versionlock Updating Subscription Management repositories. Unable to read consumer identity This system is not registered with an entitlement server. You can use subscription-manager to register. Copr repository 37 MB/s | 43 MB 00:01 Additional repo https_jakub_fedorapeople_org_fe 221 kB/s | 84 kB 00:00 fedora 19 MB/s | 60 MB 00:03 Dependencies resolved. ========================================================================================================================== Package Arch Version Repository Size ========================================================================================================================== Installing: dnf noarch 4.14.0-1.fc38 fedora 480 k dnf-plugins-core noarch 4.3.1-1.fc38 fedora 34 k Installing dependencies: alternatives ppc64le 1.21-1.fc38 copr_base 41 k audit-libs ppc64le 3.0.9-2.fc38 fedora 130 k basesystem noarch 11-14.fc37 fedora 7.0 k bash ppc64le 5.2.9-3.fc38 copr_base 1.9 M bzip2-libs ppc64le 1.0.8-12.fc38 copr_base 48 k ca-certificates noarch 2022.2.54-5.fc37 fedora 829 k coreutils ppc64le 9.1-8.fc38 copr_base 1.3 M coreutils-common ppc64le 9.1-8.fc38 copr_base 2.0 M crypto-policies noarch 20221215-1.gita4c31a3.fc38 fedora 90 k curl ppc64le 7.87.0-1.fc38 copr_base 348 k cyrus-sasl-lib ppc64le 2.1.28-8.fc38 copr_base 882 k dbus-libs ppc64le 1:1.14.4-1.fc38 copr_base 177 k dnf-data noarch 4.14.0-1.fc38 fedora 43 k elfutils-default-yama-scope noarch 0.188-3.fc38 copr_base 16 k elfutils-libelf ppc64le 0.188-3.fc38 copr_base 205 k elfutils-libs ppc64le 0.188-3.fc38 copr_base 291 k expat ppc64le 2.5.0-1.fc38 copr_base 117 k fedora-gpg-keys noarch 38-0.3 fedora 125 k fedora-release noarch 38-0.6 fedora 11 k fedora-release-common noarch 38-0.6 fedora 21 k fedora-release-identity-basic noarch 38-0.6 fedora 11 k fedora-repos noarch 38-0.3 fedora 10 k fedora-repos-rawhide noarch 38-0.3 fedora 9.7 k file-libs ppc64le 5.42-4.fc38 copr_base 688 k filesystem ppc64le 3.18-2.fc37 fedora 1.1 M findutils ppc64le 1:4.9.0-2.fc38 copr_base 530 k gawk ppc64le 5.1.1-4.fc38 copr_base 1.0 M gdbm-libs ppc64le 1:1.23-2.fc38 copr_base 62 k glib2 ppc64le 2.74.1-2.fc38 copr_base 2.8 M glibc ppc64le 2.36.9000-19.fc38 fedora 2.2 M glibc-common ppc64le 2.36.9000-19.fc38 fedora 322 k glibc-minimal-langpack ppc64le 2.36.9000-19.fc38 fedora 30 k gmp ppc64le 1:6.2.1-3.fc38 copr_base 304 k gnupg2 ppc64le 2.3.8-1.fc38 copr_base 2.7 M gnutls ppc64le 3.7.8-9.fc38 copr_base 1.1 M gpgme ppc64le 1.17.1-3.fc38 copr_base 229 k grep ppc64le 3.8-1.fc38 copr_base 293 k ima-evm-utils ppc64le 1.4-6.fc38 copr_base 67 k json-c ppc64le 0.16-3.fc38 copr_base 46 k keyutils-libs ppc64le 1.6.1-5.fc38 copr_base 33 k krb5-libs ppc64le 1.20.1-3.fc38 copr_base 805 k libacl ppc64le 2.3.1-4.fc38 copr_base 26 k libarchive ppc64le 3.6.1-3.fc38 copr_base 464 k libassuan ppc64le 2.5.5-5.fc38 copr_base 71 k libattr ppc64le 2.5.1-5.fc38 copr_base 19 k libb2 ppc64le 0.98.1-7.fc38 copr_base 26 k libblkid ppc64le 2.38.1-3.fc38 copr_base 123 k libbrotli ppc64le 1.0.9-9.fc38 copr_base 345 k libcap ppc64le 2.48-5.fc38 copr_base 73 k libcap-ng ppc64le 0.8.3-4.fc38 copr_base 34 k libcom_err ppc64le 1.46.5-3.fc38 copr_base 26 k libcomps ppc64le 0.1.18-4.fc38 copr_base 84 k libcurl ppc64le 7.87.0-1.fc38 copr_base 334 k libdnf ppc64le 0.68.0-1.fc38 copr_base 668 k libevent ppc64le 2.1.12-7.fc38 copr_base 276 k libffi ppc64le 3.4.4-1.fc38 copr_base 39 k libfsverity ppc64le 1.4-8.fc38 copr_base 20 k libgcc ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 88 k libgcrypt ppc64le 1.10.1-6.fc38 copr_base 596 k libgomp ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 314 k libgpg-error ppc64le 1.46-1.fc38 copr_base 233 k libidn2 ppc64le 2.3.4-1.fc38 copr_base 157 k libksba ppc64le 1.6.3-1.fc38 copr_base 175 k libmodulemd ppc64le 2.14.0-4.fc38 copr_base 233 k libmount ppc64le 2.38.1-3.fc38 copr_base 154 k libnghttp2 ppc64le 1.51.0-1.fc38 copr_base 85 k libnsl2 ppc64le 2.0.0-4.fc38 copr_base 33 k libpsl ppc64le 0.21.2-1.fc38 fedora 67 k librepo ppc64le 1.15.1-1.fc38 copr_base 104 k libreport-filesystem noarch 2.17.6-1.fc38 copr_base 14 k libselinux ppc64le 3.5-0.rc1.1.fc38 fedora 99 k libsemanage ppc64le 3.5-0.rc1.1.fc38 fedora 131 k libsepol ppc64le 3.5-0.rc1.1.fc38 fedora 356 k libsigsegv ppc64le 2.14-3.fc38 copr_base 28 k libsmartcols ppc64le 2.38.1-3.fc38 copr_base 70 k libsolv ppc64le 0.7.22-3.fc38 copr_base 467 k libssh ppc64le 0.10.4-2.fc38 copr_base 236 k libssh-config noarch 0.10.4-2.fc38 copr_base 9.2 k libstdc++ ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 932 k libtasn1 ppc64le 4.19.0-1.fc38 copr_base 81 k libtirpc ppc64le 1.3.3-0.fc38 copr_base 108 k libunistring ppc64le 1.0-2.fc38 copr_base 575 k libuuid ppc64le 2.38.1-3.fc38 copr_base 29 k libverto ppc64le 0.3.2-4.fc38 copr_base 23 k libxcrypt ppc64le 4.4.33-5.fc38 copr_base 133 k libxml2 ppc64le 2.10.3-2.fc38 copr_base 780 k libyaml ppc64le 0.2.5-8.fc38 copr_base 70 k libzstd ppc64le 1.5.2-3.fc37 fedora 316 k lua-libs ppc64le 5.4.4-6.fc38 copr_base 149 k lz4-libs ppc64le 1.9.3-5.fc38 copr_base 90 k mpdecimal ppc64le 2.5.1-4.fc38 copr_base 118 k mpfr ppc64le 4.1.1-2.fc38 copr_base 609 k ncurses-base noarch 6.3-5.20221126.fc38 copr_base 62 k ncurses-libs ppc64le 6.3-5.20221126.fc38 copr_base 374 k nettle ppc64le 3.8-2.fc38 copr_base 443 k npth ppc64le 1.6-10.fc38 copr_base 25 k openldap ppc64le 2.6.3-1.fc38 copr_base 288 k openssl-libs ppc64le 1:3.0.5-6.fc38 copr_base 2.2 M p11-kit ppc64le 0.24.1-5.fc38 copr_base 359 k p11-kit-trust ppc64le 0.24.1-5.fc38 copr_base 150 k pcre2 ppc64le 10.40-1.fc38.1 copr_base 242 k pcre2-syntax noarch 10.40-1.fc38.1 copr_base 143 k popt ppc64le 1.19-1.fc38 copr_base 64 k publicsuffix-list-dafsa noarch 20221208-1.fc38 fedora 59 k python-pip-wheel noarch 22.3.1-1.fc38 fedora 1.4 M python-setuptools-wheel noarch 65.5.1-1.fc38 fedora 715 k python3 ppc64le 3.11.1-1.fc38 copr_base 28 k python3-dateutil noarch 1:2.8.2-4.fc37 fedora 361 k python3-dbus ppc64le 1.3.2-1.fc38 copr_base 152 k python3-distro noarch 1.8.0-1.fc38 fedora 49 k python3-dnf noarch 4.14.0-1.fc38 fedora 607 k python3-dnf-plugins-core noarch 4.3.1-1.fc38 fedora 277 k python3-gpg ppc64le 1.17.1-3.fc38 copr_base 285 k python3-hawkey ppc64le 0.68.0-1.fc38 copr_base 109 k python3-libcomps ppc64le 0.1.18-4.fc38 copr_base 53 k python3-libdnf ppc64le 0.68.0-1.fc38 copr_base 815 k python3-libs ppc64le 3.11.1-1.fc38 copr_base 9.3 M python3-rpm ppc64le 4.18.0-8.fc38 copr_base 102 k python3-six noarch 1.16.0-8.fc37 fedora 42 k readline ppc64le 8.2-2.fc38 copr_base 229 k rpm ppc64le 4.18.0-8.fc38 copr_base 538 k rpm-build-libs ppc64le 4.18.0-8.fc38 copr_base 103 k rpm-libs ppc64le 4.18.0-8.fc38 copr_base 355 k rpm-sequoia ppc64le 1.2.0-1.fc38 copr_base 1.4 M rpm-sign-libs ppc64le 4.18.0-8.fc38 copr_base 27 k sed ppc64le 4.8-11.fc38 copr_base 304 k setup noarch 2.14.3-1.fc38 fedora 152 k shadow-utils ppc64le 2:4.13-3.fc38 copr_base 1.2 M sqlite-libs ppc64le 3.40.0-1.fc38 copr_base 776 k systemd-libs ppc64le 252.4-598.fc38 copr_base 672 k tpm2-tss ppc64le 4.0.0-0.1.rc2.fc38 copr_base 627 k tzdata noarch 2022g-1.fc38 copr_base 432 k xz-libs ppc64le 5.2.9-1.fc38 fedora 104 k zchunk-libs ppc64le 1.2.3-1.fc38 fedora 55 k zlib ppc64le 1.2.13-1.fc38 fedora 100 k Transaction Summary ========================================================================================================================== Install 137 Packages Total download size: 59 M Installed size: 284 M Downloading Packages: (1/137): alternatives-1.21-1.fc38.ppc64le.rpm 207 kB/s | 41 kB 00:00 (2/137): bzip2-libs-1.0.8-12.fc38.ppc64le.rpm 233 kB/s | 48 kB 00:00 (3/137): bash-5.2.9-3.fc38.ppc64le.rpm 7.5 MB/s | 1.9 MB 00:00 (4/137): coreutils-9.1-8.fc38.ppc64le.rpm 20 MB/s | 1.3 MB 00:00 (5/137): coreutils-common-9.1-8.fc38.ppc64le.rp 28 MB/s | 2.0 MB 00:00 (6/137): curl-7.87.0-1.fc38.ppc64le.rpm 10 MB/s | 348 kB 00:00 (7/137): cyrus-sasl-lib-2.1.28-8.fc38.ppc64le.r 32 MB/s | 882 kB 00:00 (8/137): elfutils-default-yama-scope-0.188-3.fc 1.4 MB/s | 16 kB 00:00 (9/137): dbus-libs-1.14.4-1.fc38.ppc64le.rpm 10 MB/s | 177 kB 00:00 (10/137): elfutils-libelf-0.188-3.fc38.ppc64le. 13 MB/s | 205 kB 00:00 (11/137): elfutils-libs-0.188-3.fc38.ppc64le.rp 17 MB/s | 291 kB 00:00 (12/137): expat-2.5.0-1.fc38.ppc64le.rpm 7.7 MB/s | 117 kB 00:00 (13/137): file-libs-5.42-4.fc38.ppc64le.rpm 26 MB/s | 688 kB 00:00 (14/137): findutils-4.9.0-2.fc38.ppc64le.rpm 20 MB/s | 530 kB 00:00 (15/137): gawk-5.1.1-4.fc38.ppc64le.rpm 31 MB/s | 1.0 MB 00:00 (16/137): gdbm-libs-1.23-2.fc38.ppc64le.rpm 5.1 MB/s | 62 kB 00:00 (17/137): gmp-6.2.1-3.fc38.ppc64le.rpm 13 MB/s | 304 kB 00:00 (18/137): glib2-2.74.1-2.fc38.ppc64le.rpm 30 MB/s | 2.8 MB 00:00 (19/137): gnupg2-2.3.8-1.fc38.ppc64le.rpm 29 MB/s | 2.7 MB 00:00 (20/137): gnutls-3.7.8-9.fc38.ppc64le.rpm 14 MB/s | 1.1 MB 00:00 (21/137): gpgme-1.17.1-3.fc38.ppc64le.rpm 15 MB/s | 229 kB 00:00 (22/137): grep-3.8-1.fc38.ppc64le.rpm 15 MB/s | 293 kB 00:00 (23/137): ima-evm-utils-1.4-6.fc38.ppc64le.rpm 4.4 MB/s | 67 kB 00:00 (24/137): json-c-0.16-3.fc38.ppc64le.rpm 4.4 MB/s | 46 kB 00:00 (25/137): keyutils-libs-1.6.1-5.fc38.ppc64le.rp 2.9 MB/s | 33 kB 00:00 (26/137): libacl-2.3.1-4.fc38.ppc64le.rpm 2.1 MB/s | 26 kB 00:00 (27/137): krb5-libs-1.20.1-3.fc38.ppc64le.rpm 33 MB/s | 805 kB 00:00 (28/137): libarchive-3.6.1-3.fc38.ppc64le.rpm 25 MB/s | 464 kB 00:00 (29/137): libassuan-2.5.5-5.fc38.ppc64le.rpm 5.9 MB/s | 71 kB 00:00 (30/137): libattr-2.5.1-5.fc38.ppc64le.rpm 1.9 MB/s | 19 kB 00:00 (31/137): libb2-0.98.1-7.fc38.ppc64le.rpm 2.4 MB/s | 26 kB 00:00 (32/137): libblkid-2.38.1-3.fc38.ppc64le.rpm 8.9 MB/s | 123 kB 00:00 (33/137): libbrotli-1.0.9-9.fc38.ppc64le.rpm 19 MB/s | 345 kB 00:00 (34/137): libcap-2.48-5.fc38.ppc64le.rpm 5.8 MB/s | 73 kB 00:00 (35/137): libcap-ng-0.8.3-4.fc38.ppc64le.rpm 3.3 MB/s | 34 kB 00:00 (36/137): libcom_err-1.46.5-3.fc38.ppc64le.rpm 2.4 MB/s | 26 kB 00:00 (37/137): libcomps-0.1.18-4.fc38.ppc64le.rpm 6.3 MB/s | 84 kB 00:00 (38/137): libcurl-7.87.0-1.fc38.ppc64le.rpm 20 MB/s | 334 kB 00:00 (39/137): libevent-2.1.12-7.fc38.ppc64le.rpm 16 MB/s | 276 kB 00:00 (40/137): libffi-3.4.4-1.fc38.ppc64le.rpm 3.1 MB/s | 39 kB 00:00 (41/137): libdnf-0.68.0-1.fc38.ppc64le.rpm 26 MB/s | 668 kB 00:00 (42/137): libfsverity-1.4-8.fc38.ppc64le.rpm 1.8 MB/s | 20 kB 00:00 (43/137): libgpg-error-1.46-1.fc38.ppc64le.rpm 13 MB/s | 233 kB 00:00 (44/137): libgcrypt-1.10.1-6.fc38.ppc64le.rpm 24 MB/s | 596 kB 00:00 (45/137): libidn2-2.3.4-1.fc38.ppc64le.rpm 6.7 MB/s | 157 kB 00:00 (46/137): libksba-1.6.3-1.fc38.ppc64le.rpm 11 MB/s | 175 kB 00:00 (47/137): libmodulemd-2.14.0-4.fc38.ppc64le.rpm 13 MB/s | 233 kB 00:00 (48/137): libmount-2.38.1-3.fc38.ppc64le.rpm 12 MB/s | 154 kB 00:00 (49/137): libnghttp2-1.51.0-1.fc38.ppc64le.rpm 6.8 MB/s | 85 kB 00:00 (50/137): libnsl2-2.0.0-4.fc38.ppc64le.rpm 3.2 MB/s | 33 kB 00:00 (51/137): librepo-1.15.1-1.fc38.ppc64le.rpm 9.2 MB/s | 104 kB 00:00 (52/137): libreport-filesystem-2.17.6-1.fc38.no 1.4 MB/s | 14 kB 00:00 (53/137): libsigsegv-2.14-3.fc38.ppc64le.rpm 2.7 MB/s | 28 kB 00:00 (54/137): libsmartcols-2.38.1-3.fc38.ppc64le.rp 6.4 MB/s | 70 kB 00:00 (55/137): libsolv-0.7.22-3.fc38.ppc64le.rpm 25 MB/s | 467 kB 00:00 (56/137): libssh-0.10.4-2.fc38.ppc64le.rpm 14 MB/s | 236 kB 00:00 (57/137): libssh-config-0.10.4-2.fc38.noarch.rp 761 kB/s | 9.2 kB 00:00 (58/137): libtasn1-4.19.0-1.fc38.ppc64le.rpm 7.2 MB/s | 81 kB 00:00 (59/137): libtirpc-1.3.3-0.fc38.ppc64le.rpm 8.9 MB/s | 108 kB 00:00 (60/137): libunistring-1.0-2.fc38.ppc64le.rpm 27 MB/s | 575 kB 00:00 (61/137): libuuid-2.38.1-3.fc38.ppc64le.rpm 2.5 MB/s | 29 kB 00:00 (62/137): libverto-0.3.2-4.fc38.ppc64le.rpm 2.3 MB/s | 23 kB 00:00 (63/137): libyaml-0.2.5-8.fc38.ppc64le.rpm 5.9 MB/s | 70 kB 00:00 (64/137): libxcrypt-4.4.33-5.fc38.ppc64le.rpm 9.3 MB/s | 133 kB 00:00 (65/137): libxml2-2.10.3-2.fc38.ppc64le.rpm 30 MB/s | 780 kB 00:00 (66/137): lua-libs-5.4.4-6.fc38.ppc64le.rpm 10 MB/s | 149 kB 00:00 (67/137): lz4-libs-1.9.3-5.fc38.ppc64le.rpm 6.3 MB/s | 90 kB 00:00 (68/137): mpdecimal-2.5.1-4.fc38.ppc64le.rpm 9.1 MB/s | 118 kB 00:00 (69/137): ncurses-base-6.3-5.20221126.fc38.noar 5.0 MB/s | 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fedora-gpg-keys-38-0.3.noarch.rpm 595 kB/s | 125 kB 00:00 (113/137): ca-certificates-2022.2.54-5.fc37.noa 1.1 MB/s | 829 kB 00:00 (114/137): fedora-repos-38-0.3.noarch.rpm 132 kB/s | 10 kB 00:00 (115/137): fedora-repos-rawhide-38-0.3.noarch.r 129 kB/s | 9.7 kB 00:00 (116/137): glibc-2.36.9000-19.fc38.ppc64le.rpm 8.0 MB/s | 2.2 MB 00:00 (117/137): fedora-release-identity-basic-38-0.6 25 kB/s | 11 kB 00:00 (118/137): filesystem-3.18-2.fc37.ppc64le.rpm 3.2 MB/s | 1.1 MB 00:00 (119/137): glibc-common-2.36.9000-19.fc38.ppc64 3.7 MB/s | 322 kB 00:00 (120/137): glibc-minimal-langpack-2.36.9000-19. 361 kB/s | 30 kB 00:00 (121/137): libpsl-0.21.2-1.fc38.ppc64le.rpm 810 kB/s | 67 kB 00:00 (122/137): libselinux-3.5-0.rc1.1.fc38.ppc64le. 1.2 MB/s | 99 kB 00:00 (123/137): libsemanage-3.5-0.rc1.1.fc38.ppc64le 766 kB/s | 131 kB 00:00 (124/137): libsepol-3.5-0.rc1.1.fc38.ppc64le.rp 2.0 MB/s | 356 kB 00:00 (125/137): libzstd-1.5.2-3.fc37.ppc64le.rpm 1.8 MB/s | 316 kB 00:00 (126/137): publicsuffix-list-dafsa-20221208-1.f 730 kB/s | 59 kB 00:00 (127/137): python-setuptools-wheel-65.5.1-1.fc3 6.7 MB/s | 715 kB 00:00 (128/137): python3-dateutil-2.8.2-4.fc37.noarch 3.2 MB/s | 361 kB 00:00 (129/137): python3-distro-1.8.0-1.fc38.noarch.r 658 kB/s | 49 kB 00:00 (130/137): python-pip-wheel-22.3.1-1.fc38.noarc 6.3 MB/s | 1.4 MB 00:00 (131/137): python3-dnf-plugins-core-4.3.1-1.fc3 3.3 MB/s | 277 kB 00:00 (132/137): python3-six-1.16.0-8.fc37.noarch.rpm 571 kB/s | 42 kB 00:00 (133/137): python3-dnf-4.14.0-1.fc38.noarch.rpm 4.4 MB/s | 607 kB 00:00 (134/137): setup-2.14.3-1.fc38.noarch.rpm 1.9 MB/s | 152 kB 00:00 (135/137): xz-libs-5.2.9-1.fc38.ppc64le.rpm 1.4 MB/s | 104 kB 00:00 (136/137): zchunk-libs-1.2.3-1.fc38.ppc64le.rpm 710 kB/s | 55 kB 00:00 (137/137): zlib-1.2.13-1.fc38.ppc64le.rpm 1.3 MB/s | 100 kB 00:00 -------------------------------------------------------------------------------- Total 18 MB/s | 59 MB 00:03 fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0xEB10B464: Userid : "Fedora (38) " Fingerprint: 6A51 BBAB BA3D 5467 B617 1221 809A 8D7C EB10 B464 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-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-38-primary (0xEB10B464) is already installed fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x5323552A: Userid : "Fedora (37) " Fingerprint: ACB5 EE4E 831C 74BB 7C16 8D27 F55A D3FB 5323 552A From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-37-primary Key imported successfully Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Running scriptlet: filesystem-3.18-2.fc37.ppc64le 1/1 Preparing : 1/1 Installing : libgcc-13.0.0-0.4.fc38.ppc64le 1/137 Running scriptlet: libgcc-13.0.0-0.4.fc38.ppc64le 1/137 Installing : crypto-policies-20221215-1.gita4c31a3.fc38.noarc 2/137 Running scriptlet: crypto-policies-20221215-1.gita4c31a3.fc38.noarc 2/137 Installing : tzdata-2022g-1.fc38.noarch 3/137 Installing : fedora-release-identity-basic-38-0.6.noarch 4/137 Installing : python-setuptools-wheel-65.5.1-1.fc38.noarch 5/137 Installing : publicsuffix-list-dafsa-20221208-1.fc38.noarch 6/137 Installing : fedora-gpg-keys-38-0.3.noarch 7/137 Installing : fedora-release-38-0.6.noarch 8/137 Installing : fedora-release-common-38-0.6.noarch 9/137 Installing : fedora-repos-rawhide-38-0.3.noarch 10/137 Installing : fedora-repos-38-0.3.noarch 11/137 Installing : setup-2.14.3-1.fc38.noarch 12/137 Running scriptlet: setup-2.14.3-1.fc38.noarch 12/137 Installing : filesystem-3.18-2.fc37.ppc64le 13/137 Installing : 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ca-certificates-2022.2.54-5.fc37.noarch 101/137 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 101/137 Installing : krb5-libs-1.20.1-3.fc38.ppc64le 102/137 Installing : libtirpc-1.3.3-0.fc38.ppc64le 103/137 Installing : libfsverity-1.4-8.fc38.ppc64le 104/137 Installing : zchunk-libs-1.2.3-1.fc38.ppc64le 105/137 Installing : libsolv-0.7.22-3.fc38.ppc64le 106/137 Installing : libnsl2-2.0.0-4.fc38.ppc64le 107/137 Installing : libssh-0.10.4-2.fc38.ppc64le 108/137 Installing : python-pip-wheel-22.3.1-1.fc38.noarch 109/137 Installing : python3-3.11.1-1.fc38.ppc64le 110/137 Installing : python3-libs-3.11.1-1.fc38.ppc64le 111/137 Installing : python3-dbus-1.3.2-1.fc38.ppc64le 112/137 Installing : python3-libcomps-0.1.18-4.fc38.ppc64le 113/137 Installing : python3-distro-1.8.0-1.fc38.noarch 114/137 Installing : python3-six-1.16.0-8.fc37.noarch 115/137 Installing : python3-dateutil-1:2.8.2-4.fc37.noarch 116/137 Installing : libarchive-3.6.1-3.fc38.ppc64le 117/137 Installing : libevent-2.1.12-7.fc38.ppc64le 118/137 Installing : openldap-2.6.3-1.fc38.ppc64le 119/137 Installing : libcurl-7.87.0-1.fc38.ppc64le 120/137 Installing : gnupg2-2.3.8-1.fc38.ppc64le 121/137 Installing : gpgme-1.17.1-3.fc38.ppc64le 122/137 Installing : librepo-1.15.1-1.fc38.ppc64le 123/137 Installing : libdnf-0.68.0-1.fc38.ppc64le 124/137 Installing : python3-libdnf-0.68.0-1.fc38.ppc64le 125/137 Installing : python3-hawkey-0.68.0-1.fc38.ppc64le 126/137 Installing : python3-gpg-1.17.1-3.fc38.ppc64le 127/137 Installing : curl-7.87.0-1.fc38.ppc64le 128/137 Running scriptlet: tpm2-tss-4.0.0-0.1.rc2.fc38.ppc64le 129/137 useradd: Warning: missing or non-executable shell '/usr/sbin/nologin' Installing : tpm2-tss-4.0.0-0.1.rc2.fc38.ppc64le 129/137 Installing : ima-evm-utils-1.4-6.fc38.ppc64le 130/137 Installing : rpm-sign-libs-4.18.0-8.fc38.ppc64le 131/137 Installing : python3-rpm-4.18.0-8.fc38.ppc64le 132/137 Installing : python3-dnf-4.14.0-1.fc38.noarch 133/137 Installing : python3-dnf-plugins-core-4.3.1-1.fc38.noarch 134/137 Installing : dnf-plugins-core-4.3.1-1.fc38.noarch 135/137 Installing : dnf-4.14.0-1.fc38.noarch 136/137 Running scriptlet: dnf-4.14.0-1.fc38.noarch 136/137 Running scriptlet: rpm-4.18.0-8.fc38.ppc64le 137/137 Installing : rpm-4.18.0-8.fc38.ppc64le 137/137 Running scriptlet: filesystem-3.18-2.fc37.ppc64le 137/137 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 137/137 Running scriptlet: rpm-4.18.0-8.fc38.ppc64le 137/137 Verifying : alternatives-1.21-1.fc38.ppc64le 1/137 Verifying : bash-5.2.9-3.fc38.ppc64le 2/137 Verifying : bzip2-libs-1.0.8-12.fc38.ppc64le 3/137 Verifying : coreutils-9.1-8.fc38.ppc64le 4/137 Verifying : coreutils-common-9.1-8.fc38.ppc64le 5/137 Verifying : curl-7.87.0-1.fc38.ppc64le 6/137 Verifying : cyrus-sasl-lib-2.1.28-8.fc38.ppc64le 7/137 Verifying : dbus-libs-1:1.14.4-1.fc38.ppc64le 8/137 Verifying : elfutils-default-yama-scope-0.188-3.fc38.noarch 9/137 Verifying : elfutils-libelf-0.188-3.fc38.ppc64le 10/137 Verifying : elfutils-libs-0.188-3.fc38.ppc64le 11/137 Verifying : expat-2.5.0-1.fc38.ppc64le 12/137 Verifying : file-libs-5.42-4.fc38.ppc64le 13/137 Verifying : findutils-1:4.9.0-2.fc38.ppc64le 14/137 Verifying : gawk-5.1.1-4.fc38.ppc64le 15/137 Verifying : gdbm-libs-1:1.23-2.fc38.ppc64le 16/137 Verifying : glib2-2.74.1-2.fc38.ppc64le 17/137 Verifying : gmp-1:6.2.1-3.fc38.ppc64le 18/137 Verifying : gnupg2-2.3.8-1.fc38.ppc64le 19/137 Verifying : gnutls-3.7.8-9.fc38.ppc64le 20/137 Verifying : gpgme-1.17.1-3.fc38.ppc64le 21/137 Verifying : grep-3.8-1.fc38.ppc64le 22/137 Verifying : ima-evm-utils-1.4-6.fc38.ppc64le 23/137 Verifying : json-c-0.16-3.fc38.ppc64le 24/137 Verifying : keyutils-libs-1.6.1-5.fc38.ppc64le 25/137 Verifying : krb5-libs-1.20.1-3.fc38.ppc64le 26/137 Verifying : libacl-2.3.1-4.fc38.ppc64le 27/137 Verifying : libarchive-3.6.1-3.fc38.ppc64le 28/137 Verifying : libassuan-2.5.5-5.fc38.ppc64le 29/137 Verifying : libattr-2.5.1-5.fc38.ppc64le 30/137 Verifying : libb2-0.98.1-7.fc38.ppc64le 31/137 Verifying : libblkid-2.38.1-3.fc38.ppc64le 32/137 Verifying : libbrotli-1.0.9-9.fc38.ppc64le 33/137 Verifying : libcap-2.48-5.fc38.ppc64le 34/137 Verifying : libcap-ng-0.8.3-4.fc38.ppc64le 35/137 Verifying : libcom_err-1.46.5-3.fc38.ppc64le 36/137 Verifying : libcomps-0.1.18-4.fc38.ppc64le 37/137 Verifying : libcurl-7.87.0-1.fc38.ppc64le 38/137 Verifying : libdnf-0.68.0-1.fc38.ppc64le 39/137 Verifying : libevent-2.1.12-7.fc38.ppc64le 40/137 Verifying : libffi-3.4.4-1.fc38.ppc64le 41/137 Verifying : libfsverity-1.4-8.fc38.ppc64le 42/137 Verifying : libgcrypt-1.10.1-6.fc38.ppc64le 43/137 Verifying : libgpg-error-1.46-1.fc38.ppc64le 44/137 Verifying : libidn2-2.3.4-1.fc38.ppc64le 45/137 Verifying : libksba-1.6.3-1.fc38.ppc64le 46/137 Verifying : libmodulemd-2.14.0-4.fc38.ppc64le 47/137 Verifying : libmount-2.38.1-3.fc38.ppc64le 48/137 Verifying : libnghttp2-1.51.0-1.fc38.ppc64le 49/137 Verifying : libnsl2-2.0.0-4.fc38.ppc64le 50/137 Verifying : librepo-1.15.1-1.fc38.ppc64le 51/137 Verifying : libreport-filesystem-2.17.6-1.fc38.noarch 52/137 Verifying : libsigsegv-2.14-3.fc38.ppc64le 53/137 Verifying : libsmartcols-2.38.1-3.fc38.ppc64le 54/137 Verifying : libsolv-0.7.22-3.fc38.ppc64le 55/137 Verifying : libssh-0.10.4-2.fc38.ppc64le 56/137 Verifying : libssh-config-0.10.4-2.fc38.noarch 57/137 Verifying : libtasn1-4.19.0-1.fc38.ppc64le 58/137 Verifying : libtirpc-1.3.3-0.fc38.ppc64le 59/137 Verifying : libunistring-1.0-2.fc38.ppc64le 60/137 Verifying : libuuid-2.38.1-3.fc38.ppc64le 61/137 Verifying : libverto-0.3.2-4.fc38.ppc64le 62/137 Verifying : libxcrypt-4.4.33-5.fc38.ppc64le 63/137 Verifying : libxml2-2.10.3-2.fc38.ppc64le 64/137 Verifying : libyaml-0.2.5-8.fc38.ppc64le 65/137 Verifying : lua-libs-5.4.4-6.fc38.ppc64le 66/137 Verifying : lz4-libs-1.9.3-5.fc38.ppc64le 67/137 Verifying : mpdecimal-2.5.1-4.fc38.ppc64le 68/137 Verifying : mpfr-4.1.1-2.fc38.ppc64le 69/137 Verifying : ncurses-base-6.3-5.20221126.fc38.noarch 70/137 Verifying : ncurses-libs-6.3-5.20221126.fc38.ppc64le 71/137 Verifying : nettle-3.8-2.fc38.ppc64le 72/137 Verifying : npth-1.6-10.fc38.ppc64le 73/137 Verifying : openldap-2.6.3-1.fc38.ppc64le 74/137 Verifying : openssl-libs-1:3.0.5-6.fc38.ppc64le 75/137 Verifying : p11-kit-0.24.1-5.fc38.ppc64le 76/137 Verifying : p11-kit-trust-0.24.1-5.fc38.ppc64le 77/137 Verifying : pcre2-10.40-1.fc38.1.ppc64le 78/137 Verifying : pcre2-syntax-10.40-1.fc38.1.noarch 79/137 Verifying : popt-1.19-1.fc38.ppc64le 80/137 Verifying : python3-3.11.1-1.fc38.ppc64le 81/137 Verifying : python3-dbus-1.3.2-1.fc38.ppc64le 82/137 Verifying : python3-gpg-1.17.1-3.fc38.ppc64le 83/137 Verifying : python3-hawkey-0.68.0-1.fc38.ppc64le 84/137 Verifying : python3-libcomps-0.1.18-4.fc38.ppc64le 85/137 Verifying : python3-libdnf-0.68.0-1.fc38.ppc64le 86/137 Verifying : python3-libs-3.11.1-1.fc38.ppc64le 87/137 Verifying : python3-rpm-4.18.0-8.fc38.ppc64le 88/137 Verifying : readline-8.2-2.fc38.ppc64le 89/137 Verifying : rpm-4.18.0-8.fc38.ppc64le 90/137 Verifying : rpm-build-libs-4.18.0-8.fc38.ppc64le 91/137 Verifying : rpm-libs-4.18.0-8.fc38.ppc64le 92/137 Verifying : rpm-sequoia-1.2.0-1.fc38.ppc64le 93/137 Verifying : rpm-sign-libs-4.18.0-8.fc38.ppc64le 94/137 Verifying : sed-4.8-11.fc38.ppc64le 95/137 Verifying : shadow-utils-2:4.13-3.fc38.ppc64le 96/137 Verifying : sqlite-libs-3.40.0-1.fc38.ppc64le 97/137 Verifying : systemd-libs-252.4-598.fc38.ppc64le 98/137 Verifying : tpm2-tss-4.0.0-0.1.rc2.fc38.ppc64le 99/137 Verifying : tzdata-2022g-1.fc38.noarch 100/137 Verifying : libgcc-13.0.0-0.4.fc38.ppc64le 101/137 Verifying : libgomp-13.0.0-0.4.fc38.ppc64le 102/137 Verifying : libstdc++-13.0.0-0.4.fc38.ppc64le 103/137 Verifying : audit-libs-3.0.9-2.fc38.ppc64le 104/137 Verifying : basesystem-11-14.fc37.noarch 105/137 Verifying : ca-certificates-2022.2.54-5.fc37.noarch 106/137 Verifying : crypto-policies-20221215-1.gita4c31a3.fc38.noarc 107/137 Verifying : dnf-4.14.0-1.fc38.noarch 108/137 Verifying : dnf-data-4.14.0-1.fc38.noarch 109/137 Verifying : dnf-plugins-core-4.3.1-1.fc38.noarch 110/137 Verifying : fedora-gpg-keys-38-0.3.noarch 111/137 Verifying : fedora-release-38-0.6.noarch 112/137 Verifying : fedora-release-common-38-0.6.noarch 113/137 Verifying : fedora-release-identity-basic-38-0.6.noarch 114/137 Verifying : fedora-repos-38-0.3.noarch 115/137 Verifying : fedora-repos-rawhide-38-0.3.noarch 116/137 Verifying : filesystem-3.18-2.fc37.ppc64le 117/137 Verifying : glibc-2.36.9000-19.fc38.ppc64le 118/137 Verifying : glibc-common-2.36.9000-19.fc38.ppc64le 119/137 Verifying : glibc-minimal-langpack-2.36.9000-19.fc38.ppc64le 120/137 Verifying : libpsl-0.21.2-1.fc38.ppc64le 121/137 Verifying : libselinux-3.5-0.rc1.1.fc38.ppc64le 122/137 Verifying : libsemanage-3.5-0.rc1.1.fc38.ppc64le 123/137 Verifying : libsepol-3.5-0.rc1.1.fc38.ppc64le 124/137 Verifying : libzstd-1.5.2-3.fc37.ppc64le 125/137 Verifying : publicsuffix-list-dafsa-20221208-1.fc38.noarch 126/137 Verifying : python-pip-wheel-22.3.1-1.fc38.noarch 127/137 Verifying : python-setuptools-wheel-65.5.1-1.fc38.noarch 128/137 Verifying : python3-dateutil-1:2.8.2-4.fc37.noarch 129/137 Verifying : python3-distro-1.8.0-1.fc38.noarch 130/137 Verifying : python3-dnf-4.14.0-1.fc38.noarch 131/137 Verifying : python3-dnf-plugins-core-4.3.1-1.fc38.noarch 132/137 Verifying : python3-six-1.16.0-8.fc37.noarch 133/137 Verifying : setup-2.14.3-1.fc38.noarch 134/137 Verifying : xz-libs-5.2.9-1.fc38.ppc64le 135/137 Verifying : zchunk-libs-1.2.3-1.fc38.ppc64le 136/137 Verifying : zlib-1.2.13-1.fc38.ppc64le 137/137 Installed products updated. Installed: alternatives-1.21-1.fc38.ppc64le audit-libs-3.0.9-2.fc38.ppc64le basesystem-11-14.fc37.noarch bash-5.2.9-3.fc38.ppc64le bzip2-libs-1.0.8-12.fc38.ppc64le ca-certificates-2022.2.54-5.fc37.noarch coreutils-9.1-8.fc38.ppc64le coreutils-common-9.1-8.fc38.ppc64le crypto-policies-20221215-1.gita4c31a3.fc38.noarch curl-7.87.0-1.fc38.ppc64le cyrus-sasl-lib-2.1.28-8.fc38.ppc64le dbus-libs-1:1.14.4-1.fc38.ppc64le dnf-4.14.0-1.fc38.noarch dnf-data-4.14.0-1.fc38.noarch dnf-plugins-core-4.3.1-1.fc38.noarch elfutils-default-yama-scope-0.188-3.fc38.noarch elfutils-libelf-0.188-3.fc38.ppc64le elfutils-libs-0.188-3.fc38.ppc64le expat-2.5.0-1.fc38.ppc64le fedora-gpg-keys-38-0.3.noarch fedora-release-38-0.6.noarch fedora-release-common-38-0.6.noarch fedora-release-identity-basic-38-0.6.noarch fedora-repos-38-0.3.noarch fedora-repos-rawhide-38-0.3.noarch file-libs-5.42-4.fc38.ppc64le filesystem-3.18-2.fc37.ppc64le findutils-1:4.9.0-2.fc38.ppc64le gawk-5.1.1-4.fc38.ppc64le gdbm-libs-1:1.23-2.fc38.ppc64le glib2-2.74.1-2.fc38.ppc64le glibc-2.36.9000-19.fc38.ppc64le glibc-common-2.36.9000-19.fc38.ppc64le glibc-minimal-langpack-2.36.9000-19.fc38.ppc64le gmp-1:6.2.1-3.fc38.ppc64le gnupg2-2.3.8-1.fc38.ppc64le gnutls-3.7.8-9.fc38.ppc64le gpgme-1.17.1-3.fc38.ppc64le grep-3.8-1.fc38.ppc64le ima-evm-utils-1.4-6.fc38.ppc64le json-c-0.16-3.fc38.ppc64le keyutils-libs-1.6.1-5.fc38.ppc64le krb5-libs-1.20.1-3.fc38.ppc64le libacl-2.3.1-4.fc38.ppc64le libarchive-3.6.1-3.fc38.ppc64le libassuan-2.5.5-5.fc38.ppc64le libattr-2.5.1-5.fc38.ppc64le libb2-0.98.1-7.fc38.ppc64le libblkid-2.38.1-3.fc38.ppc64le libbrotli-1.0.9-9.fc38.ppc64le libcap-2.48-5.fc38.ppc64le libcap-ng-0.8.3-4.fc38.ppc64le libcom_err-1.46.5-3.fc38.ppc64le libcomps-0.1.18-4.fc38.ppc64le libcurl-7.87.0-1.fc38.ppc64le libdnf-0.68.0-1.fc38.ppc64le libevent-2.1.12-7.fc38.ppc64le libffi-3.4.4-1.fc38.ppc64le libfsverity-1.4-8.fc38.ppc64le libgcc-13.0.0-0.4.fc38.ppc64le libgcrypt-1.10.1-6.fc38.ppc64le libgomp-13.0.0-0.4.fc38.ppc64le libgpg-error-1.46-1.fc38.ppc64le libidn2-2.3.4-1.fc38.ppc64le libksba-1.6.3-1.fc38.ppc64le libmodulemd-2.14.0-4.fc38.ppc64le libmount-2.38.1-3.fc38.ppc64le libnghttp2-1.51.0-1.fc38.ppc64le libnsl2-2.0.0-4.fc38.ppc64le libpsl-0.21.2-1.fc38.ppc64le librepo-1.15.1-1.fc38.ppc64le libreport-filesystem-2.17.6-1.fc38.noarch libselinux-3.5-0.rc1.1.fc38.ppc64le libsemanage-3.5-0.rc1.1.fc38.ppc64le libsepol-3.5-0.rc1.1.fc38.ppc64le libsigsegv-2.14-3.fc38.ppc64le libsmartcols-2.38.1-3.fc38.ppc64le libsolv-0.7.22-3.fc38.ppc64le libssh-0.10.4-2.fc38.ppc64le libssh-config-0.10.4-2.fc38.noarch libstdc++-13.0.0-0.4.fc38.ppc64le libtasn1-4.19.0-1.fc38.ppc64le libtirpc-1.3.3-0.fc38.ppc64le libunistring-1.0-2.fc38.ppc64le libuuid-2.38.1-3.fc38.ppc64le libverto-0.3.2-4.fc38.ppc64le libxcrypt-4.4.33-5.fc38.ppc64le libxml2-2.10.3-2.fc38.ppc64le libyaml-0.2.5-8.fc38.ppc64le libzstd-1.5.2-3.fc37.ppc64le lua-libs-5.4.4-6.fc38.ppc64le lz4-libs-1.9.3-5.fc38.ppc64le mpdecimal-2.5.1-4.fc38.ppc64le mpfr-4.1.1-2.fc38.ppc64le ncurses-base-6.3-5.20221126.fc38.noarch ncurses-libs-6.3-5.20221126.fc38.ppc64le nettle-3.8-2.fc38.ppc64le npth-1.6-10.fc38.ppc64le openldap-2.6.3-1.fc38.ppc64le openssl-libs-1:3.0.5-6.fc38.ppc64le p11-kit-0.24.1-5.fc38.ppc64le p11-kit-trust-0.24.1-5.fc38.ppc64le pcre2-10.40-1.fc38.1.ppc64le pcre2-syntax-10.40-1.fc38.1.noarch popt-1.19-1.fc38.ppc64le publicsuffix-list-dafsa-20221208-1.fc38.noarch python-pip-wheel-22.3.1-1.fc38.noarch python-setuptools-wheel-65.5.1-1.fc38.noarch python3-3.11.1-1.fc38.ppc64le python3-dateutil-1:2.8.2-4.fc37.noarch python3-dbus-1.3.2-1.fc38.ppc64le python3-distro-1.8.0-1.fc38.noarch python3-dnf-4.14.0-1.fc38.noarch python3-dnf-plugins-core-4.3.1-1.fc38.noarch python3-gpg-1.17.1-3.fc38.ppc64le python3-hawkey-0.68.0-1.fc38.ppc64le python3-libcomps-0.1.18-4.fc38.ppc64le python3-libdnf-0.68.0-1.fc38.ppc64le python3-libs-3.11.1-1.fc38.ppc64le python3-rpm-4.18.0-8.fc38.ppc64le python3-six-1.16.0-8.fc37.noarch readline-8.2-2.fc38.ppc64le rpm-4.18.0-8.fc38.ppc64le rpm-build-libs-4.18.0-8.fc38.ppc64le rpm-libs-4.18.0-8.fc38.ppc64le rpm-sequoia-1.2.0-1.fc38.ppc64le rpm-sign-libs-4.18.0-8.fc38.ppc64le sed-4.8-11.fc38.ppc64le setup-2.14.3-1.fc38.noarch shadow-utils-2:4.13-3.fc38.ppc64le sqlite-libs-3.40.0-1.fc38.ppc64le systemd-libs-252.4-598.fc38.ppc64le tpm2-tss-4.0.0-0.1.rc2.fc38.ppc64le tzdata-2022g-1.fc38.noarch xz-libs-5.2.9-1.fc38.ppc64le zchunk-libs-1.2.3-1.fc38.ppc64le zlib-1.2.13-1.fc38.ppc64le Complete! Finish(bootstrap): dnf install 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-ppc64le-1672378150.983452/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 Mock Version: 3.5 INFO: Mock Version: 3.5 Start: dnf install No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 24 MB/s | 43 MB 00:01 Additional repo https_jakub_fedorapeople_org_fe 114 kB/s | 84 kB 00:00 fedora 14 MB/s | 60 MB 00:04 Dependencies resolved. ========================================================================================================================== Package Arch Version Repository Size ========================================================================================================================== Installing group/module packages: bash ppc64le 5.2.9-3.fc38 copr_base 1.9 M bzip2 ppc64le 1.0.8-12.fc38 copr_base 54 k coreutils ppc64le 9.1-8.fc38 copr_base 1.3 M cpio ppc64le 2.13-13.fc38 copr_base 277 k diffutils ppc64le 3.8-3.fc38 copr_base 381 k fedora-release-common noarch 38-0.6 fedora 21 k findutils ppc64le 1:4.9.0-2.fc38 copr_base 530 k gawk ppc64le 5.1.1-4.fc38 copr_base 1.0 M glibc-minimal-langpack ppc64le 2.36.9000-19.fc38 fedora 30 k grep ppc64le 3.8-1.fc38 copr_base 293 k gzip ppc64le 1.12-2.fc38 copr_base 163 k info ppc64le 7.0.1-1.fc38 copr_base 201 k patch ppc64le 2.7.6-17.fc38 copr_base 136 k redhat-rpm-config noarch 236-1.fc38 fedora 81 k rpm-build ppc64le 4.18.0-8.fc38 copr_base 71 k sed ppc64le 4.8-11.fc38 copr_base 304 k shadow-utils ppc64le 2:4.13-3.fc38 copr_base 1.2 M tar ppc64le 2:1.34-5.fc38 copr_base 909 k unzip ppc64le 6.0-58.fc38 copr_base 189 k util-linux ppc64le 2.38.1-3.fc38 copr_base 2.4 M which ppc64le 2.21-36.fc38 copr_base 43 k xz ppc64le 5.2.9-1.fc38 fedora 310 k Installing dependencies: alternatives ppc64le 1.21-1.fc38 copr_base 41 k ansible-srpm-macros noarch 1-8.1.fc38 fedora 8.6 k audit-libs ppc64le 3.0.9-2.fc38 fedora 130 k authselect ppc64le 1.4.2-1.fc38 copr_base 141 k authselect-libs ppc64le 1.4.2-1.fc38 copr_base 241 k basesystem noarch 11-14.fc37 fedora 7.0 k binutils ppc64le 2.39-6.fc38 copr_base 6.2 M binutils-gold ppc64le 2.39-6.fc38 copr_base 1.1 M bzip2-libs ppc64le 1.0.8-12.fc38 copr_base 48 k ca-certificates noarch 2022.2.54-5.fc37 fedora 829 k coreutils-common ppc64le 9.1-8.fc38 copr_base 2.0 M cracklib ppc64le 2.9.7-30.fc38 copr_base 84 k crypto-policies noarch 20221215-1.gita4c31a3.fc38 fedora 90 k curl ppc64le 7.87.0-1.fc38 copr_base 348 k cyrus-sasl-lib ppc64le 2.1.28-8.fc38 copr_base 882 k debugedit ppc64le 5.0-5.fc37 fedora 80 k dwz ppc64le 0.15-1.fc38 copr_base 143 k ed ppc64le 1.18-2.fc38 copr_base 82 k efi-srpm-macros noarch 5-6.fc37 fedora 22 k elfutils ppc64le 0.188-3.fc38 copr_base 555 k elfutils-debuginfod-client ppc64le 0.188-3.fc38 copr_base 42 k elfutils-default-yama-scope noarch 0.188-3.fc38 copr_base 16 k elfutils-libelf ppc64le 0.188-3.fc38 copr_base 205 k elfutils-libs ppc64le 0.188-3.fc38 copr_base 291 k fedora-gpg-keys noarch 38-0.3 fedora 125 k fedora-release noarch 38-0.6 fedora 11 k fedora-release-identity-basic noarch 38-0.6 fedora 11 k fedora-repos noarch 38-0.3 fedora 10 k fedora-repos-rawhide noarch 38-0.3 fedora 9.7 k file ppc64le 5.42-4.fc38 copr_base 50 k file-libs ppc64le 5.42-4.fc38 copr_base 688 k filesystem ppc64le 3.18-2.fc37 fedora 1.1 M fonts-srpm-macros noarch 1:2.0.5-10.fc38 fedora 26 k fpc-srpm-macros noarch 1.3-6.fc37 fedora 7.7 k gdb-minimal ppc64le 12.1-10.fc38 fedora 3.7 M gdbm-libs ppc64le 1:1.23-2.fc38 copr_base 62 k ghc-srpm-macros noarch 1.5.0-7.fc37 fedora 7.8 k glibc ppc64le 2.36.9000-19.fc38 fedora 2.2 M glibc-common ppc64le 2.36.9000-19.fc38 fedora 322 k glibc-gconv-extra ppc64le 2.36.9000-19.fc38 fedora 1.9 M gmp ppc64le 1:6.2.1-3.fc38 copr_base 304 k gnat-srpm-macros noarch 4-16.fc37 fedora 8.3 k go-srpm-macros noarch 3.2.0-1.fc38 fedora 27 k jansson ppc64le 2.13.1-5.fc38 copr_base 50 k kernel-srpm-macros noarch 1.0-15.fc37 fedora 9.4 k keyutils-libs ppc64le 1.6.1-5.fc38 copr_base 33 k krb5-libs ppc64le 1.20.1-3.fc38 copr_base 805 k libacl ppc64le 2.3.1-4.fc38 copr_base 26 k libarchive ppc64le 3.6.1-3.fc38 copr_base 464 k libattr ppc64le 2.5.1-5.fc38 copr_base 19 k libblkid ppc64le 2.38.1-3.fc38 copr_base 123 k libbrotli ppc64le 1.0.9-9.fc38 copr_base 345 k libcap ppc64le 2.48-5.fc38 copr_base 73 k libcap-ng ppc64le 0.8.3-4.fc38 copr_base 34 k libcom_err ppc64le 1.46.5-3.fc38 copr_base 26 k libcurl ppc64le 7.87.0-1.fc38 copr_base 334 k libdb ppc64le 5.3.28-54.fc38 copr_base 842 k libeconf ppc64le 0.4.0-4.fc38 copr_base 31 k libevent ppc64le 2.1.12-7.fc38 copr_base 276 k libfdisk ppc64le 2.38.1-3.fc38 copr_base 177 k libffi ppc64le 3.4.4-1.fc38 copr_base 39 k libgcc ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 88 k libgomp ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 314 k libidn2 ppc64le 2.3.4-1.fc38 copr_base 157 k libmount ppc64le 2.38.1-3.fc38 copr_base 154 k libnghttp2 ppc64le 1.51.0-1.fc38 copr_base 85 k libnsl2 ppc64le 2.0.0-4.fc38 copr_base 33 k libpkgconf ppc64le 1.8.0-3.fc38 copr_base 40 k libpsl ppc64le 0.21.2-1.fc38 fedora 67 k libpwquality ppc64le 1.4.5-1.fc38 fedora 122 k librtas ppc64le 2.0.3-1.fc38 copr_base 68 k libselinux ppc64le 3.5-0.rc1.1.fc38 fedora 99 k libsemanage ppc64le 3.5-0.rc1.1.fc38 fedora 131 k libsepol ppc64le 3.5-0.rc1.1.fc38 fedora 356 k libsigsegv ppc64le 2.14-3.fc38 copr_base 28 k libsmartcols ppc64le 2.38.1-3.fc38 copr_base 70 k libssh ppc64le 0.10.4-2.fc38 copr_base 236 k libssh-config noarch 0.10.4-2.fc38 copr_base 9.2 k libstdc++ ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 932 k libtasn1 ppc64le 4.19.0-1.fc38 copr_base 81 k libtirpc ppc64le 1.3.3-0.fc38 copr_base 108 k libunistring ppc64le 1.0-2.fc38 copr_base 575 k libutempter ppc64le 1.2.1-7.fc38 copr_base 27 k libuuid ppc64le 2.38.1-3.fc38 copr_base 29 k libverto ppc64le 0.3.2-4.fc38 copr_base 23 k libxcrypt ppc64le 4.4.33-5.fc38 copr_base 133 k libxml2 ppc64le 2.10.3-2.fc38 copr_base 780 k libzstd ppc64le 1.5.2-3.fc37 fedora 316 k lua-libs ppc64le 5.4.4-6.fc38 copr_base 149 k lua-srpm-macros noarch 1-7.fc37 fedora 8.8 k lz4-libs ppc64le 1.9.3-5.fc38 copr_base 90 k mpfr ppc64le 4.1.1-2.fc38 copr_base 609 k ncurses-base noarch 6.3-5.20221126.fc38 copr_base 62 k ncurses-libs ppc64le 6.3-5.20221126.fc38 copr_base 374 k nettle ppc64le 3.8-2.fc38 copr_base 443 k nim-srpm-macros noarch 3-7.fc37 fedora 8.4 k ocaml-srpm-macros noarch 7-2.fc37 fedora 13 k openblas-srpm-macros noarch 2-12.fc37 fedora 7.5 k openldap ppc64le 2.6.3-1.fc38 copr_base 288 k openssl-libs ppc64le 1:3.0.5-6.fc38 copr_base 2.2 M p11-kit ppc64le 0.24.1-5.fc38 copr_base 359 k p11-kit-trust ppc64le 0.24.1-5.fc38 copr_base 150 k package-notes-srpm-macros noarch 0.5-6.fc38 fedora 11 k pam ppc64le 1.5.2-15.fc38 copr_base 569 k pam-libs ppc64le 1.5.2-15.fc38 copr_base 64 k pcre2 ppc64le 10.40-1.fc38.1 copr_base 242 k pcre2-syntax noarch 10.40-1.fc38.1 copr_base 143 k perl-srpm-macros noarch 1-47.fc38 fedora 8.2 k pkgconf ppc64le 1.8.0-3.fc38 copr_base 43 k pkgconf-m4 noarch 1.8.0-3.fc38 copr_base 15 k pkgconf-pkg-config ppc64le 1.8.0-3.fc38 copr_base 11 k popt ppc64le 1.19-1.fc38 copr_base 64 k publicsuffix-list-dafsa noarch 20221208-1.fc38 fedora 59 k python-srpm-macros noarch 3.11-6.fc38 fedora 25 k qt5-srpm-macros noarch 5.15.7-1.fc38 copr_base 8.4 k readline ppc64le 8.2-2.fc38 copr_base 229 k rpm ppc64le 4.18.0-8.fc38 copr_base 538 k rpm-build-libs ppc64le 4.18.0-8.fc38 copr_base 103 k rpm-libs ppc64le 4.18.0-8.fc38 copr_base 355 k rpm-sequoia ppc64le 1.2.0-1.fc38 copr_base 1.4 M rpmautospec-rpm-macros noarch 0.3.1-1.fc38 copr_base 9.3 k rust-srpm-macros noarch 23-1.fc38 fedora 9.4 k setup noarch 2.14.3-1.fc38 fedora 152 k sqlite-libs ppc64le 3.40.0-1.fc38 copr_base 776 k systemd-libs ppc64le 252.4-598.fc38 copr_base 672 k tzdata noarch 2022g-1.fc38 copr_base 432 k util-linux-core ppc64le 2.38.1-3.fc38 copr_base 501 k xxhash-libs ppc64le 0.8.1-3.fc37 fedora 38 k xz-libs ppc64le 5.2.9-1.fc38 fedora 104 k zip ppc64le 3.0-35.fc38 fedora 267 k zlib ppc64le 1.2.13-1.fc38 fedora 100 k zstd ppc64le 1.5.2-3.fc37 fedora 466 k Installing Groups: Buildsystem building group Transaction Summary ========================================================================================================================== Install 154 Packages Total download size: 56 M Installed size: 328 M Downloading Packages: (1/154): alternatives-1.21-1.fc38.ppc64le.rpm 134 kB/s | 41 kB 00:00 (2/154): authselect-1.4.2-1.fc38.ppc64le.rpm 438 kB/s | 141 kB 00:00 (3/154): authselect-libs-1.4.2-1.fc38.ppc64le.r 731 kB/s | 241 kB 00:00 (4/154): bash-5.2.9-3.fc38.ppc64le.rpm 22 MB/s | 1.9 MB 00:00 (5/154): binutils-gold-2.39-6.fc38.ppc64le.rpm 14 MB/s | 1.1 MB 00:00 (6/154): binutils-2.39-6.fc38.ppc64le.rpm 39 MB/s | 6.2 MB 00:00 (7/154): bzip2-1.0.8-12.fc38.ppc64le.rpm 580 kB/s | 54 kB 00:00 (8/154): bzip2-libs-1.0.8-12.fc38.ppc64le.rpm 712 kB/s | 48 kB 00:00 (9/154): coreutils-9.1-8.fc38.ppc64le.rpm 38 MB/s | 1.3 MB 00:00 (10/154): coreutils-common-9.1-8.fc38.ppc64le.r 35 MB/s | 2.0 MB 00:00 (11/154): cpio-2.13-13.fc38.ppc64le.rpm 4.5 MB/s | 277 kB 00:00 (12/154): cracklib-2.9.7-30.fc38.ppc64le.rpm 3.3 MB/s | 84 kB 00:00 (13/154): curl-7.87.0-1.fc38.ppc64le.rpm 21 MB/s | 348 kB 00:00 (14/154): cyrus-sasl-lib-2.1.28-8.fc38.ppc64le. 34 MB/s | 882 kB 00:00 (15/154): diffutils-3.8-3.fc38.ppc64le.rpm 13 MB/s | 381 kB 00:00 (16/154): dwz-0.15-1.fc38.ppc64le.rpm 8.9 MB/s | 143 kB 00:00 (17/154): ed-1.18-2.fc38.ppc64le.rpm 7.1 MB/s | 82 kB 00:00 (18/154): elfutils-debuginfod-client-0.188-3.fc 3.3 MB/s | 42 kB 00:00 (19/154): elfutils-0.188-3.fc38.ppc64le.rpm 28 MB/s | 555 kB 00:00 (20/154): elfutils-default-yama-scope-0.188-3.f 1.3 MB/s | 16 kB 00:00 (21/154): elfutils-libelf-0.188-3.fc38.ppc64le. 17 MB/s | 205 kB 00:00 (22/154): elfutils-libs-0.188-3.fc38.ppc64le.rp 22 MB/s | 291 kB 00:00 (23/154): file-5.42-4.fc38.ppc64le.rpm 3.6 MB/s | 50 kB 00:00 (24/154): file-libs-5.42-4.fc38.ppc64le.rpm 34 MB/s | 688 kB 00:00 (25/154): findutils-4.9.0-2.fc38.ppc64le.rpm 28 MB/s | 530 kB 00:00 (26/154): gawk-5.1.1-4.fc38.ppc64le.rpm 34 MB/s | 1.0 MB 00:00 (27/154): gdbm-libs-1.23-2.fc38.ppc64le.rpm 3.1 MB/s | 62 kB 00:00 (28/154): gmp-6.2.1-3.fc38.ppc64le.rpm 20 MB/s | 304 kB 00:00 (29/154): grep-3.8-1.fc38.ppc64le.rpm 21 MB/s | 293 kB 00:00 (30/154): info-7.0.1-1.fc38.ppc64le.rpm 14 MB/s | 201 kB 00:00 (31/154): gzip-1.12-2.fc38.ppc64le.rpm 10 MB/s | 163 kB 00:00 (32/154): jansson-2.13.1-5.fc38.ppc64le.rpm 5.0 MB/s | 50 kB 00:00 (33/154): keyutils-libs-1.6.1-5.fc38.ppc64le.rp 3.5 MB/s | 33 kB 00:00 (34/154): krb5-libs-1.20.1-3.fc38.ppc64le.rpm 34 MB/s | 805 kB 00:00 (35/154): libacl-2.3.1-4.fc38.ppc64le.rpm 1.4 MB/s | 26 kB 00:00 (36/154): libarchive-3.6.1-3.fc38.ppc64le.rpm 23 MB/s | 464 kB 00:00 (37/154): libattr-2.5.1-5.fc38.ppc64le.rpm 1.9 MB/s | 19 kB 00:00 (38/154): libblkid-2.38.1-3.fc38.ppc64le.rpm 11 MB/s | 123 kB 00:00 (39/154): libbrotli-1.0.9-9.fc38.ppc64le.rpm 23 MB/s | 345 kB 00:00 (40/154): libcap-2.48-5.fc38.ppc64le.rpm 7.3 MB/s | 73 kB 00:00 (41/154): libcap-ng-0.8.3-4.fc38.ppc64le.rpm 3.5 MB/s | 34 kB 00:00 (42/154): libcom_err-1.46.5-3.fc38.ppc64le.rpm 2.9 MB/s | 26 kB 00:00 (43/154): libcurl-7.87.0-1.fc38.ppc64le.rpm 23 MB/s | 334 kB 00:00 (44/154): libdb-5.3.28-54.fc38.ppc64le.rpm 32 MB/s | 842 kB 00:00 (45/154): libeconf-0.4.0-4.fc38.ppc64le.rpm 1.5 MB/s | 31 kB 00:00 (46/154): libevent-2.1.12-7.fc38.ppc64le.rpm 19 MB/s | 276 kB 00:00 (47/154): libffi-3.4.4-1.fc38.ppc64le.rpm 3.1 MB/s | 39 kB 00:00 (48/154): libfdisk-2.38.1-3.fc38.ppc64le.rpm 12 MB/s | 177 kB 00:00 (49/154): libidn2-2.3.4-1.fc38.ppc64le.rpm 11 MB/s | 157 kB 00:00 (50/154): libmount-2.38.1-3.fc38.ppc64le.rpm 14 MB/s | 154 kB 00:00 (51/154): libnghttp2-1.51.0-1.fc38.ppc64le.rpm 8.1 MB/s | 85 kB 00:00 (52/154): libnsl2-2.0.0-4.fc38.ppc64le.rpm 2.9 MB/s | 33 kB 00:00 (53/154): libpkgconf-1.8.0-3.fc38.ppc64le.rpm 4.0 MB/s | 40 kB 00:00 (54/154): libsigsegv-2.14-3.fc38.ppc64le.rpm 2.8 MB/s | 28 kB 00:00 (55/154): librtas-2.0.3-1.fc38.ppc64le.rpm 5.8 MB/s | 68 kB 00:00 (56/154): libsmartcols-2.38.1-3.fc38.ppc64le.rp 7.1 MB/s | 70 kB 00:00 (57/154): libssh-0.10.4-2.fc38.ppc64le.rpm 17 MB/s | 236 kB 00:00 (58/154): libssh-config-0.10.4-2.fc38.noarch.rp 731 kB/s | 9.2 kB 00:00 (59/154): libtasn1-4.19.0-1.fc38.ppc64le.rpm 8.0 MB/s | 81 kB 00:00 (60/154): libtirpc-1.3.3-0.fc38.ppc64le.rpm 9.6 MB/s | 108 kB 00:00 (61/154): libunistring-1.0-2.fc38.ppc64le.rpm 29 MB/s | 575 kB 00:00 (62/154): libutempter-1.2.1-7.fc38.ppc64le.rpm 1.6 MB/s | 27 kB 00:00 (63/154): libuuid-2.38.1-3.fc38.ppc64le.rpm 3.0 MB/s | 29 kB 00:00 (64/154): libverto-0.3.2-4.fc38.ppc64le.rpm 2.4 MB/s | 23 kB 00:00 (65/154): libxcrypt-4.4.33-5.fc38.ppc64le.rpm 11 MB/s | 133 kB 00:00 (66/154): libxml2-2.10.3-2.fc38.ppc64le.rpm 31 MB/s | 780 kB 00:00 (67/154): lua-libs-5.4.4-6.fc38.ppc64le.rpm 8.7 MB/s | 149 kB 00:00 (68/154): lz4-libs-1.9.3-5.fc38.ppc64le.rpm 5.8 MB/s | 90 kB 00:00 (69/154): mpfr-4.1.1-2.fc38.ppc64le.rpm 30 MB/s | 609 kB 00:00 (70/154): ncurses-base-6.3-5.20221126.fc38.noar 2.8 MB/s | 62 kB 00:00 (71/154): ncurses-libs-6.3-5.20221126.fc38.ppc6 16 MB/s | 374 kB 00:00 (72/154): nettle-3.8-2.fc38.ppc64le.rpm 27 MB/s | 443 kB 00:00 (73/154): openldap-2.6.3-1.fc38.ppc64le.rpm 17 MB/s | 288 kB 00:00 (74/154): openssl-libs-3.0.5-6.fc38.ppc64le.rpm 43 MB/s | 2.2 MB 00:00 (75/154): p11-kit-0.24.1-5.fc38.ppc64le.rpm 8.4 MB/s | 359 kB 00:00 (76/154): p11-kit-trust-0.24.1-5.fc38.ppc64le.r 3.7 MB/s | 150 kB 00:00 (77/154): pam-1.5.2-15.fc38.ppc64le.rpm 30 MB/s | 569 kB 00:00 (78/154): pam-libs-1.5.2-15.fc38.ppc64le.rpm 3.8 MB/s | 64 kB 00:00 (79/154): patch-2.7.6-17.fc38.ppc64le.rpm 7.8 MB/s | 136 kB 00:00 (80/154): pcre2-10.40-1.fc38.1.ppc64le.rpm 18 MB/s | 242 kB 00:00 (81/154): pcre2-syntax-10.40-1.fc38.1.noarch.rp 11 MB/s | 143 kB 00:00 (82/154): pkgconf-1.8.0-3.fc38.ppc64le.rpm 3.1 MB/s | 43 kB 00:00 (83/154): pkgconf-m4-1.8.0-3.fc38.noarch.rpm 1.6 MB/s | 15 kB 00:00 (84/154): popt-1.19-1.fc38.ppc64le.rpm 6.4 MB/s | 64 kB 00:00 (85/154): pkgconf-pkg-config-1.8.0-3.fc38.ppc64 987 kB/s | 11 kB 00:00 (86/154): qt5-srpm-macros-5.15.7-1.fc38.noarch. 921 kB/s | 8.4 kB 00:00 (87/154): readline-8.2-2.fc38.ppc64le.rpm 18 MB/s | 229 kB 00:00 (88/154): rpm-4.18.0-8.fc38.ppc64le.rpm 24 MB/s | 538 kB 00:00 (89/154): rpm-build-4.18.0-8.fc38.ppc64le.rpm 4.4 MB/s | 71 kB 00:00 (90/154): rpm-build-libs-4.18.0-8.fc38.ppc64le. 9.1 MB/s | 103 kB 00:00 (91/154): rpm-libs-4.18.0-8.fc38.ppc64le.rpm 22 MB/s | 355 kB 00:00 (92/154): rpm-sequoia-1.2.0-1.fc38.ppc64le.rpm 38 MB/s | 1.4 MB 00:00 (93/154): rpmautospec-rpm-macros-0.3.1-1.fc38.n 251 kB/s | 9.3 kB 00:00 (94/154): sed-4.8-11.fc38.ppc64le.rpm 13 MB/s | 304 kB 00:00 (95/154): shadow-utils-4.13-3.fc38.ppc64le.rpm 40 MB/s | 1.2 MB 00:00 (96/154): sqlite-libs-3.40.0-1.fc38.ppc64le.rpm 22 MB/s | 776 kB 00:00 (97/154): systemd-libs-252.4-598.fc38.ppc64le.r 16 MB/s | 672 kB 00:00 (98/154): tar-1.34-5.fc38.ppc64le.rpm 36 MB/s | 909 kB 00:00 (99/154): tzdata-2022g-1.fc38.noarch.rpm 18 MB/s | 432 kB 00:00 (100/154): unzip-6.0-58.fc38.ppc64le.rpm 9.8 MB/s | 189 kB 00:00 (101/154): util-linux-2.38.1-3.fc38.ppc64le.rpm 47 MB/s | 2.4 MB 00:00 (102/154): which-2.21-36.fc38.ppc64le.rpm 906 kB/s | 43 kB 00:00 (103/154): util-linux-core-2.38.1-3.fc38.ppc64l 9.3 MB/s | 501 kB 00:00 (104/154): libgcc-13.0.0-0.4.fc38.ppc64le.rpm 265 kB/s | 88 kB 00:00 (105/154): libgomp-13.0.0-0.4.fc38.ppc64le.rpm 854 kB/s | 314 kB 00:00 (106/154): ansible-srpm-macros-1-8.1.fc38.noarc 119 kB/s | 8.6 kB 00:00 (107/154): libstdc++-13.0.0-0.4.fc38.ppc64le.rp 2.2 MB/s | 932 kB 00:00 (108/154): basesystem-11-14.fc37.noarch.rpm 294 kB/s | 7.0 kB 00:00 (109/154): audit-libs-3.0.9-2.fc38.ppc64le.rpm 1.0 MB/s | 130 kB 00:00 (110/154): crypto-policies-20221215-1.gita4c31a 1.3 MB/s | 90 kB 00:00 (111/154): 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nim-srpm-macros-3-7.fc37.noarch.rpm 265 kB/s | 8.4 kB 00:00 (140/154): openblas-srpm-macros-2-12.fc37.noarc 224 kB/s | 7.5 kB 00:00 (141/154): ocaml-srpm-macros-7-2.fc37.noarch.rp 197 kB/s | 13 kB 00:00 (142/154): package-notes-srpm-macros-0.5-6.fc38 236 kB/s | 11 kB 00:00 (143/154): perl-srpm-macros-1-47.fc38.noarch.rp 224 kB/s | 8.2 kB 00:00 (144/154): publicsuffix-list-dafsa-20221208-1.f 2.4 MB/s | 59 kB 00:00 (145/154): python-srpm-macros-3.11-6.fc38.noarc 492 kB/s | 25 kB 00:00 (146/154): redhat-rpm-config-236-1.fc38.noarch. 1.9 MB/s | 81 kB 00:00 (147/154): rust-srpm-macros-23-1.fc38.noarch.rp 217 kB/s | 9.4 kB 00:00 (148/154): setup-2.14.3-1.fc38.noarch.rpm 6.1 MB/s | 152 kB 00:00 (149/154): xz-libs-5.2.9-1.fc38.ppc64le.rpm 4.3 MB/s | 104 kB 00:00 (150/154): xxhash-libs-0.8.1-3.fc37.ppc64le.rpm 803 kB/s | 38 kB 00:00 (151/154): xz-5.2.9-1.fc38.ppc64le.rpm 6.9 MB/s | 310 kB 00:00 (152/154): zlib-1.2.13-1.fc38.ppc64le.rpm 4.3 MB/s | 100 kB 00:00 (153/154): zip-3.0-35.fc38.ppc64le.rpm 5.2 MB/s | 267 kB 00:00 (154/154): zstd-1.5.2-3.fc37.ppc64le.rpm 8.6 MB/s | 466 kB 00:00 -------------------------------------------------------------------------------- Total 21 MB/s | 56 MB 00:02 fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0xEB10B464: Userid : "Fedora (38) " Fingerprint: 6A51 BBAB BA3D 5467 B617 1221 809A 8D7C EB10 B464 From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-38-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-38-primary (0xEB10B464) is already installed fedora 1.6 MB/s | 1.6 kB 00:00 Importing GPG key 0x5323552A: Userid : "Fedora (37) " Fingerprint: ACB5 EE4E 831C 74BB 7C16 8D27 F55A D3FB 5323 552A From : /usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-37-primary Key imported successfully Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Running scriptlet: filesystem-3.18-2.fc37.ppc64le 1/1 Preparing : 1/1 Installing : libgcc-13.0.0-0.4.fc38.ppc64le 1/154 Running scriptlet: libgcc-13.0.0-0.4.fc38.ppc64le 1/154 Installing : crypto-policies-20221215-1.gita4c31a3.fc38.noarc 2/154 Running scriptlet: crypto-policies-20221215-1.gita4c31a3.fc38.noarc 2/154 Installing : fedora-release-identity-basic-38-0.6.noarch 3/154 Installing : rust-srpm-macros-23-1.fc38.noarch 4/154 Installing : publicsuffix-list-dafsa-20221208-1.fc38.noarch 5/154 Installing : perl-srpm-macros-1-47.fc38.noarch 6/154 Installing : package-notes-srpm-macros-0.5-6.fc38.noarch 7/154 Installing : openblas-srpm-macros-2-12.fc37.noarch 8/154 Installing : ocaml-srpm-macros-7-2.fc37.noarch 9/154 Installing : nim-srpm-macros-3-7.fc37.noarch 10/154 Installing : kernel-srpm-macros-1.0-15.fc37.noarch 11/154 Installing : gnat-srpm-macros-4-16.fc37.noarch 12/154 Installing : ghc-srpm-macros-1.5.0-7.fc37.noarch 13/154 Installing : 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python-srpm-macros-3.11-6.fc38.noarch 149/154 Installing : redhat-rpm-config-236-1.fc38.noarch 150/154 Installing : rpm-build-4.18.0-8.fc38.ppc64le 151/154 Installing : util-linux-2.38.1-3.fc38.ppc64le 152/154 Installing : which-2.21-36.fc38.ppc64le 153/154 Installing : info-7.0.1-1.fc38.ppc64le 154/154 Running scriptlet: filesystem-3.18-2.fc37.ppc64le 154/154 Running scriptlet: ca-certificates-2022.2.54-5.fc37.noarch 154/154 Running scriptlet: authselect-libs-1.4.2-1.fc38.ppc64le 154/154 Running scriptlet: rpm-4.18.0-8.fc38.ppc64le 154/154 Running scriptlet: info-7.0.1-1.fc38.ppc64le 154/154 Verifying : alternatives-1.21-1.fc38.ppc64le 1/154 Verifying : authselect-1.4.2-1.fc38.ppc64le 2/154 Verifying : authselect-libs-1.4.2-1.fc38.ppc64le 3/154 Verifying : bash-5.2.9-3.fc38.ppc64le 4/154 Verifying : binutils-2.39-6.fc38.ppc64le 5/154 Verifying : binutils-gold-2.39-6.fc38.ppc64le 6/154 Verifying : bzip2-1.0.8-12.fc38.ppc64le 7/154 Verifying : bzip2-libs-1.0.8-12.fc38.ppc64le 8/154 Verifying : coreutils-9.1-8.fc38.ppc64le 9/154 Verifying : coreutils-common-9.1-8.fc38.ppc64le 10/154 Verifying : cpio-2.13-13.fc38.ppc64le 11/154 Verifying : cracklib-2.9.7-30.fc38.ppc64le 12/154 Verifying : curl-7.87.0-1.fc38.ppc64le 13/154 Verifying : cyrus-sasl-lib-2.1.28-8.fc38.ppc64le 14/154 Verifying : diffutils-3.8-3.fc38.ppc64le 15/154 Verifying : dwz-0.15-1.fc38.ppc64le 16/154 Verifying : ed-1.18-2.fc38.ppc64le 17/154 Verifying : elfutils-0.188-3.fc38.ppc64le 18/154 Verifying : elfutils-debuginfod-client-0.188-3.fc38.ppc64le 19/154 Verifying : elfutils-default-yama-scope-0.188-3.fc38.noarch 20/154 Verifying : elfutils-libelf-0.188-3.fc38.ppc64le 21/154 Verifying : elfutils-libs-0.188-3.fc38.ppc64le 22/154 Verifying : file-5.42-4.fc38.ppc64le 23/154 Verifying : file-libs-5.42-4.fc38.ppc64le 24/154 Verifying : findutils-1:4.9.0-2.fc38.ppc64le 25/154 Verifying : gawk-5.1.1-4.fc38.ppc64le 26/154 Verifying : gdbm-libs-1:1.23-2.fc38.ppc64le 27/154 Verifying : gmp-1:6.2.1-3.fc38.ppc64le 28/154 Verifying : grep-3.8-1.fc38.ppc64le 29/154 Verifying : gzip-1.12-2.fc38.ppc64le 30/154 Verifying : info-7.0.1-1.fc38.ppc64le 31/154 Verifying : jansson-2.13.1-5.fc38.ppc64le 32/154 Verifying : keyutils-libs-1.6.1-5.fc38.ppc64le 33/154 Verifying : krb5-libs-1.20.1-3.fc38.ppc64le 34/154 Verifying : libacl-2.3.1-4.fc38.ppc64le 35/154 Verifying : libarchive-3.6.1-3.fc38.ppc64le 36/154 Verifying : libattr-2.5.1-5.fc38.ppc64le 37/154 Verifying : libblkid-2.38.1-3.fc38.ppc64le 38/154 Verifying : libbrotli-1.0.9-9.fc38.ppc64le 39/154 Verifying : libcap-2.48-5.fc38.ppc64le 40/154 Verifying : libcap-ng-0.8.3-4.fc38.ppc64le 41/154 Verifying : libcom_err-1.46.5-3.fc38.ppc64le 42/154 Verifying : libcurl-7.87.0-1.fc38.ppc64le 43/154 Verifying : libdb-5.3.28-54.fc38.ppc64le 44/154 Verifying : libeconf-0.4.0-4.fc38.ppc64le 45/154 Verifying : libevent-2.1.12-7.fc38.ppc64le 46/154 Verifying : libfdisk-2.38.1-3.fc38.ppc64le 47/154 Verifying : libffi-3.4.4-1.fc38.ppc64le 48/154 Verifying : libidn2-2.3.4-1.fc38.ppc64le 49/154 Verifying : libmount-2.38.1-3.fc38.ppc64le 50/154 Verifying : libnghttp2-1.51.0-1.fc38.ppc64le 51/154 Verifying : libnsl2-2.0.0-4.fc38.ppc64le 52/154 Verifying : libpkgconf-1.8.0-3.fc38.ppc64le 53/154 Verifying : librtas-2.0.3-1.fc38.ppc64le 54/154 Verifying : libsigsegv-2.14-3.fc38.ppc64le 55/154 Verifying : libsmartcols-2.38.1-3.fc38.ppc64le 56/154 Verifying : libssh-0.10.4-2.fc38.ppc64le 57/154 Verifying : libssh-config-0.10.4-2.fc38.noarch 58/154 Verifying : libtasn1-4.19.0-1.fc38.ppc64le 59/154 Verifying : libtirpc-1.3.3-0.fc38.ppc64le 60/154 Verifying : libunistring-1.0-2.fc38.ppc64le 61/154 Verifying : libutempter-1.2.1-7.fc38.ppc64le 62/154 Verifying : libuuid-2.38.1-3.fc38.ppc64le 63/154 Verifying : libverto-0.3.2-4.fc38.ppc64le 64/154 Verifying : libxcrypt-4.4.33-5.fc38.ppc64le 65/154 Verifying : libxml2-2.10.3-2.fc38.ppc64le 66/154 Verifying : lua-libs-5.4.4-6.fc38.ppc64le 67/154 Verifying : lz4-libs-1.9.3-5.fc38.ppc64le 68/154 Verifying : mpfr-4.1.1-2.fc38.ppc64le 69/154 Verifying : ncurses-base-6.3-5.20221126.fc38.noarch 70/154 Verifying : ncurses-libs-6.3-5.20221126.fc38.ppc64le 71/154 Verifying : nettle-3.8-2.fc38.ppc64le 72/154 Verifying : openldap-2.6.3-1.fc38.ppc64le 73/154 Verifying : openssl-libs-1:3.0.5-6.fc38.ppc64le 74/154 Verifying : p11-kit-0.24.1-5.fc38.ppc64le 75/154 Verifying : p11-kit-trust-0.24.1-5.fc38.ppc64le 76/154 Verifying : pam-1.5.2-15.fc38.ppc64le 77/154 Verifying : pam-libs-1.5.2-15.fc38.ppc64le 78/154 Verifying : patch-2.7.6-17.fc38.ppc64le 79/154 Verifying : pcre2-10.40-1.fc38.1.ppc64le 80/154 Verifying : pcre2-syntax-10.40-1.fc38.1.noarch 81/154 Verifying : pkgconf-1.8.0-3.fc38.ppc64le 82/154 Verifying : pkgconf-m4-1.8.0-3.fc38.noarch 83/154 Verifying : pkgconf-pkg-config-1.8.0-3.fc38.ppc64le 84/154 Verifying : popt-1.19-1.fc38.ppc64le 85/154 Verifying : qt5-srpm-macros-5.15.7-1.fc38.noarch 86/154 Verifying : readline-8.2-2.fc38.ppc64le 87/154 Verifying : rpm-4.18.0-8.fc38.ppc64le 88/154 Verifying : rpm-build-4.18.0-8.fc38.ppc64le 89/154 Verifying : rpm-build-libs-4.18.0-8.fc38.ppc64le 90/154 Verifying : rpm-libs-4.18.0-8.fc38.ppc64le 91/154 Verifying : rpm-sequoia-1.2.0-1.fc38.ppc64le 92/154 Verifying : rpmautospec-rpm-macros-0.3.1-1.fc38.noarch 93/154 Verifying : sed-4.8-11.fc38.ppc64le 94/154 Verifying : shadow-utils-2:4.13-3.fc38.ppc64le 95/154 Verifying : sqlite-libs-3.40.0-1.fc38.ppc64le 96/154 Verifying : systemd-libs-252.4-598.fc38.ppc64le 97/154 Verifying : tar-2:1.34-5.fc38.ppc64le 98/154 Verifying : tzdata-2022g-1.fc38.noarch 99/154 Verifying : unzip-6.0-58.fc38.ppc64le 100/154 Verifying : util-linux-2.38.1-3.fc38.ppc64le 101/154 Verifying : util-linux-core-2.38.1-3.fc38.ppc64le 102/154 Verifying : which-2.21-36.fc38.ppc64le 103/154 Verifying : libgcc-13.0.0-0.4.fc38.ppc64le 104/154 Verifying : libgomp-13.0.0-0.4.fc38.ppc64le 105/154 Verifying : libstdc++-13.0.0-0.4.fc38.ppc64le 106/154 Verifying : ansible-srpm-macros-1-8.1.fc38.noarch 107/154 Verifying : audit-libs-3.0.9-2.fc38.ppc64le 108/154 Verifying : basesystem-11-14.fc37.noarch 109/154 Verifying : ca-certificates-2022.2.54-5.fc37.noarch 110/154 Verifying : crypto-policies-20221215-1.gita4c31a3.fc38.noarc 111/154 Verifying : debugedit-5.0-5.fc37.ppc64le 112/154 Verifying : efi-srpm-macros-5-6.fc37.noarch 113/154 Verifying : fedora-gpg-keys-38-0.3.noarch 114/154 Verifying : fedora-release-38-0.6.noarch 115/154 Verifying : fedora-release-common-38-0.6.noarch 116/154 Verifying : fedora-release-identity-basic-38-0.6.noarch 117/154 Verifying : fedora-repos-38-0.3.noarch 118/154 Verifying : fedora-repos-rawhide-38-0.3.noarch 119/154 Verifying : filesystem-3.18-2.fc37.ppc64le 120/154 Verifying : fonts-srpm-macros-1:2.0.5-10.fc38.noarch 121/154 Verifying : fpc-srpm-macros-1.3-6.fc37.noarch 122/154 Verifying : gdb-minimal-12.1-10.fc38.ppc64le 123/154 Verifying : ghc-srpm-macros-1.5.0-7.fc37.noarch 124/154 Verifying : glibc-2.36.9000-19.fc38.ppc64le 125/154 Verifying : glibc-common-2.36.9000-19.fc38.ppc64le 126/154 Verifying : glibc-gconv-extra-2.36.9000-19.fc38.ppc64le 127/154 Verifying : glibc-minimal-langpack-2.36.9000-19.fc38.ppc64le 128/154 Verifying : gnat-srpm-macros-4-16.fc37.noarch 129/154 Verifying : go-srpm-macros-3.2.0-1.fc38.noarch 130/154 Verifying : kernel-srpm-macros-1.0-15.fc37.noarch 131/154 Verifying : libpsl-0.21.2-1.fc38.ppc64le 132/154 Verifying : libpwquality-1.4.5-1.fc38.ppc64le 133/154 Verifying : libselinux-3.5-0.rc1.1.fc38.ppc64le 134/154 Verifying : libsemanage-3.5-0.rc1.1.fc38.ppc64le 135/154 Verifying : libsepol-3.5-0.rc1.1.fc38.ppc64le 136/154 Verifying : libzstd-1.5.2-3.fc37.ppc64le 137/154 Verifying : lua-srpm-macros-1-7.fc37.noarch 138/154 Verifying : nim-srpm-macros-3-7.fc37.noarch 139/154 Verifying : ocaml-srpm-macros-7-2.fc37.noarch 140/154 Verifying : openblas-srpm-macros-2-12.fc37.noarch 141/154 Verifying : package-notes-srpm-macros-0.5-6.fc38.noarch 142/154 Verifying : perl-srpm-macros-1-47.fc38.noarch 143/154 Verifying : publicsuffix-list-dafsa-20221208-1.fc38.noarch 144/154 Verifying : python-srpm-macros-3.11-6.fc38.noarch 145/154 Verifying : redhat-rpm-config-236-1.fc38.noarch 146/154 Verifying : rust-srpm-macros-23-1.fc38.noarch 147/154 Verifying : setup-2.14.3-1.fc38.noarch 148/154 Verifying : xxhash-libs-0.8.1-3.fc37.ppc64le 149/154 Verifying : xz-5.2.9-1.fc38.ppc64le 150/154 Verifying : xz-libs-5.2.9-1.fc38.ppc64le 151/154 Verifying : zip-3.0-35.fc38.ppc64le 152/154 Verifying : zlib-1.2.13-1.fc38.ppc64le 153/154 Verifying : zstd-1.5.2-3.fc37.ppc64le 154/154 Installed: alternatives-1.21-1.fc38.ppc64le ansible-srpm-macros-1-8.1.fc38.noarch audit-libs-3.0.9-2.fc38.ppc64le authselect-1.4.2-1.fc38.ppc64le authselect-libs-1.4.2-1.fc38.ppc64le basesystem-11-14.fc37.noarch bash-5.2.9-3.fc38.ppc64le binutils-2.39-6.fc38.ppc64le binutils-gold-2.39-6.fc38.ppc64le bzip2-1.0.8-12.fc38.ppc64le bzip2-libs-1.0.8-12.fc38.ppc64le ca-certificates-2022.2.54-5.fc37.noarch coreutils-9.1-8.fc38.ppc64le coreutils-common-9.1-8.fc38.ppc64le cpio-2.13-13.fc38.ppc64le cracklib-2.9.7-30.fc38.ppc64le crypto-policies-20221215-1.gita4c31a3.fc38.noarch curl-7.87.0-1.fc38.ppc64le cyrus-sasl-lib-2.1.28-8.fc38.ppc64le debugedit-5.0-5.fc37.ppc64le diffutils-3.8-3.fc38.ppc64le dwz-0.15-1.fc38.ppc64le ed-1.18-2.fc38.ppc64le efi-srpm-macros-5-6.fc37.noarch elfutils-0.188-3.fc38.ppc64le elfutils-debuginfod-client-0.188-3.fc38.ppc64le elfutils-default-yama-scope-0.188-3.fc38.noarch elfutils-libelf-0.188-3.fc38.ppc64le elfutils-libs-0.188-3.fc38.ppc64le fedora-gpg-keys-38-0.3.noarch fedora-release-38-0.6.noarch fedora-release-common-38-0.6.noarch fedora-release-identity-basic-38-0.6.noarch fedora-repos-38-0.3.noarch fedora-repos-rawhide-38-0.3.noarch file-5.42-4.fc38.ppc64le file-libs-5.42-4.fc38.ppc64le filesystem-3.18-2.fc37.ppc64le findutils-1:4.9.0-2.fc38.ppc64le fonts-srpm-macros-1:2.0.5-10.fc38.noarch fpc-srpm-macros-1.3-6.fc37.noarch gawk-5.1.1-4.fc38.ppc64le gdb-minimal-12.1-10.fc38.ppc64le gdbm-libs-1:1.23-2.fc38.ppc64le ghc-srpm-macros-1.5.0-7.fc37.noarch glibc-2.36.9000-19.fc38.ppc64le glibc-common-2.36.9000-19.fc38.ppc64le glibc-gconv-extra-2.36.9000-19.fc38.ppc64le glibc-minimal-langpack-2.36.9000-19.fc38.ppc64le gmp-1:6.2.1-3.fc38.ppc64le gnat-srpm-macros-4-16.fc37.noarch go-srpm-macros-3.2.0-1.fc38.noarch grep-3.8-1.fc38.ppc64le gzip-1.12-2.fc38.ppc64le info-7.0.1-1.fc38.ppc64le jansson-2.13.1-5.fc38.ppc64le kernel-srpm-macros-1.0-15.fc37.noarch keyutils-libs-1.6.1-5.fc38.ppc64le krb5-libs-1.20.1-3.fc38.ppc64le libacl-2.3.1-4.fc38.ppc64le libarchive-3.6.1-3.fc38.ppc64le libattr-2.5.1-5.fc38.ppc64le libblkid-2.38.1-3.fc38.ppc64le libbrotli-1.0.9-9.fc38.ppc64le libcap-2.48-5.fc38.ppc64le libcap-ng-0.8.3-4.fc38.ppc64le libcom_err-1.46.5-3.fc38.ppc64le libcurl-7.87.0-1.fc38.ppc64le libdb-5.3.28-54.fc38.ppc64le libeconf-0.4.0-4.fc38.ppc64le libevent-2.1.12-7.fc38.ppc64le libfdisk-2.38.1-3.fc38.ppc64le libffi-3.4.4-1.fc38.ppc64le libgcc-13.0.0-0.4.fc38.ppc64le libgomp-13.0.0-0.4.fc38.ppc64le libidn2-2.3.4-1.fc38.ppc64le libmount-2.38.1-3.fc38.ppc64le libnghttp2-1.51.0-1.fc38.ppc64le libnsl2-2.0.0-4.fc38.ppc64le libpkgconf-1.8.0-3.fc38.ppc64le libpsl-0.21.2-1.fc38.ppc64le libpwquality-1.4.5-1.fc38.ppc64le librtas-2.0.3-1.fc38.ppc64le libselinux-3.5-0.rc1.1.fc38.ppc64le libsemanage-3.5-0.rc1.1.fc38.ppc64le libsepol-3.5-0.rc1.1.fc38.ppc64le libsigsegv-2.14-3.fc38.ppc64le libsmartcols-2.38.1-3.fc38.ppc64le libssh-0.10.4-2.fc38.ppc64le libssh-config-0.10.4-2.fc38.noarch libstdc++-13.0.0-0.4.fc38.ppc64le libtasn1-4.19.0-1.fc38.ppc64le libtirpc-1.3.3-0.fc38.ppc64le libunistring-1.0-2.fc38.ppc64le libutempter-1.2.1-7.fc38.ppc64le libuuid-2.38.1-3.fc38.ppc64le libverto-0.3.2-4.fc38.ppc64le libxcrypt-4.4.33-5.fc38.ppc64le libxml2-2.10.3-2.fc38.ppc64le libzstd-1.5.2-3.fc37.ppc64le lua-libs-5.4.4-6.fc38.ppc64le lua-srpm-macros-1-7.fc37.noarch lz4-libs-1.9.3-5.fc38.ppc64le mpfr-4.1.1-2.fc38.ppc64le ncurses-base-6.3-5.20221126.fc38.noarch ncurses-libs-6.3-5.20221126.fc38.ppc64le nettle-3.8-2.fc38.ppc64le nim-srpm-macros-3-7.fc37.noarch ocaml-srpm-macros-7-2.fc37.noarch openblas-srpm-macros-2-12.fc37.noarch openldap-2.6.3-1.fc38.ppc64le openssl-libs-1:3.0.5-6.fc38.ppc64le p11-kit-0.24.1-5.fc38.ppc64le p11-kit-trust-0.24.1-5.fc38.ppc64le package-notes-srpm-macros-0.5-6.fc38.noarch pam-1.5.2-15.fc38.ppc64le pam-libs-1.5.2-15.fc38.ppc64le patch-2.7.6-17.fc38.ppc64le pcre2-10.40-1.fc38.1.ppc64le pcre2-syntax-10.40-1.fc38.1.noarch perl-srpm-macros-1-47.fc38.noarch pkgconf-1.8.0-3.fc38.ppc64le pkgconf-m4-1.8.0-3.fc38.noarch pkgconf-pkg-config-1.8.0-3.fc38.ppc64le popt-1.19-1.fc38.ppc64le publicsuffix-list-dafsa-20221208-1.fc38.noarch python-srpm-macros-3.11-6.fc38.noarch qt5-srpm-macros-5.15.7-1.fc38.noarch readline-8.2-2.fc38.ppc64le redhat-rpm-config-236-1.fc38.noarch rpm-4.18.0-8.fc38.ppc64le rpm-build-4.18.0-8.fc38.ppc64le rpm-build-libs-4.18.0-8.fc38.ppc64le rpm-libs-4.18.0-8.fc38.ppc64le rpm-sequoia-1.2.0-1.fc38.ppc64le rpmautospec-rpm-macros-0.3.1-1.fc38.noarch rust-srpm-macros-23-1.fc38.noarch sed-4.8-11.fc38.ppc64le setup-2.14.3-1.fc38.noarch shadow-utils-2:4.13-3.fc38.ppc64le sqlite-libs-3.40.0-1.fc38.ppc64le systemd-libs-252.4-598.fc38.ppc64le tar-2:1.34-5.fc38.ppc64le tzdata-2022g-1.fc38.noarch unzip-6.0-58.fc38.ppc64le util-linux-2.38.1-3.fc38.ppc64le util-linux-core-2.38.1-3.fc38.ppc64le which-2.21-36.fc38.ppc64le xxhash-libs-0.8.1-3.fc37.ppc64le xz-5.2.9-1.fc38.ppc64le xz-libs-5.2.9-1.fc38.ppc64le zip-3.0-35.fc38.ppc64le zlib-1.2.13-1.fc38.ppc64le zstd-1.5.2-3.fc37.ppc64le Complete! Finish: dnf install Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: gmp-6.2.1-3.fc38.ppc64le diffutils-3.8-3.fc38.ppc64le bzip2-libs-1.0.8-12.fc38.ppc64le pam-1.5.2-15.fc38.ppc64le fedora-repos-rawhide-38-0.3.noarch nettle-3.8-2.fc38.ppc64le keyutils-libs-1.6.1-5.fc38.ppc64le libxcrypt-4.4.33-5.fc38.ppc64le libcap-2.48-5.fc38.ppc64le cracklib-2.9.7-30.fc38.ppc64le file-libs-5.42-4.fc38.ppc64le rpm-4.18.0-8.fc38.ppc64le qt5-srpm-macros-5.15.7-1.fc38.noarch gdbm-libs-1.23-2.fc38.ppc64le readline-8.2-2.fc38.ppc64le libnsl2-2.0.0-4.fc38.ppc64le fedora-release-identity-basic-38-0.6.noarch patch-2.7.6-17.fc38.ppc64le filesystem-3.18-2.fc37.ppc64le bash-5.2.9-3.fc38.ppc64le libtirpc-1.3.3-0.fc38.ppc64le efi-srpm-macros-5-6.fc37.noarch tar-1.34-5.fc38.ppc64le lz4-libs-1.9.3-5.fc38.ppc64le libffi-3.4.4-1.fc38.ppc64le perl-srpm-macros-1-47.fc38.noarch libcurl-7.87.0-1.fc38.ppc64le rust-srpm-macros-23-1.fc38.noarch libmount-2.38.1-3.fc38.ppc64le libzstd-1.5.2-3.fc37.ppc64le kernel-srpm-macros-1.0-15.fc37.noarch audit-libs-3.0.9-2.fc38.ppc64le rpm-sequoia-1.2.0-1.fc38.ppc64le grep-3.8-1.fc38.ppc64le libcap-ng-0.8.3-4.fc38.ppc64le pam-libs-1.5.2-15.fc38.ppc64le gnat-srpm-macros-4-16.fc37.noarch ocaml-srpm-macros-7-2.fc37.noarch curl-7.87.0-1.fc38.ppc64le lua-libs-5.4.4-6.fc38.ppc64le ca-certificates-2022.2.54-5.fc37.noarch setup-2.14.3-1.fc38.noarch util-linux-core-2.38.1-3.fc38.ppc64le libverto-0.3.2-4.fc38.ppc64le libssh-0.10.4-2.fc38.ppc64le alternatives-1.21-1.fc38.ppc64le python-srpm-macros-3.11-6.fc38.noarch coreutils-9.1-8.fc38.ppc64le nim-srpm-macros-3-7.fc37.noarch glibc-gconv-extra-2.36.9000-19.fc38.ppc64le libarchive-3.6.1-3.fc38.ppc64le libattr-2.5.1-5.fc38.ppc64le libeconf-0.4.0-4.fc38.ppc64le libunistring-1.0-2.fc38.ppc64le cpio-2.13-13.fc38.ppc64le file-5.42-4.fc38.ppc64le libnghttp2-1.51.0-1.fc38.ppc64le libidn2-2.3.4-1.fc38.ppc64le elfutils-libelf-0.188-3.fc38.ppc64le mpfr-4.1.1-2.fc38.ppc64le libxml2-2.10.3-2.fc38.ppc64le coreutils-common-9.1-8.fc38.ppc64le pkgconf-pkg-config-1.8.0-3.fc38.ppc64le rpm-build-libs-4.18.0-8.fc38.ppc64le which-2.21-36.fc38.ppc64le elfutils-debuginfod-client-0.188-3.fc38.ppc64le xxhash-libs-0.8.1-3.fc37.ppc64le libsemanage-3.5-0.rc1.1.fc38.ppc64le cyrus-sasl-lib-2.1.28-8.fc38.ppc64le pkgconf-1.8.0-3.fc38.ppc64le fedora-gpg-keys-38-0.3.noarch libselinux-3.5-0.rc1.1.fc38.ppc64le libtasn1-4.19.0-1.fc38.ppc64le glibc-common-2.36.9000-19.fc38.ppc64le bzip2-1.0.8-12.fc38.ppc64le gawk-5.1.1-4.fc38.ppc64le glibc-minimal-langpack-2.36.9000-19.fc38.ppc64le gpg-pubkey-5323552a-6112bcdc popt-1.19-1.fc38.ppc64le libblkid-2.38.1-3.fc38.ppc64le authselect-libs-1.4.2-1.fc38.ppc64le lua-srpm-macros-1-7.fc37.noarch dwz-0.15-1.fc38.ppc64le glibc-2.36.9000-19.fc38.ppc64le authselect-1.4.2-1.fc38.ppc64le openldap-2.6.3-1.fc38.ppc64le librtas-2.0.3-1.fc38.ppc64le fedora-repos-38-0.3.noarch findutils-4.9.0-2.fc38.ppc64le krb5-libs-1.20.1-3.fc38.ppc64le binutils-2.39-6.fc38.ppc64le libutempter-1.2.1-7.fc38.ppc64le p11-kit-0.24.1-5.fc38.ppc64le libsepol-3.5-0.rc1.1.fc38.ppc64le info-7.0.1-1.fc38.ppc64le libfdisk-2.38.1-3.fc38.ppc64le redhat-rpm-config-236-1.fc38.noarch zlib-1.2.13-1.fc38.ppc64le elfutils-libs-0.188-3.fc38.ppc64le gzip-1.12-2.fc38.ppc64le package-notes-srpm-macros-0.5-6.fc38.noarch openblas-srpm-macros-2-12.fc37.noarch zstd-1.5.2-3.fc37.ppc64le libbrotli-1.0.9-9.fc38.ppc64le libsmartcols-2.38.1-3.fc38.ppc64le p11-kit-trust-0.24.1-5.fc38.ppc64le unzip-6.0-58.fc38.ppc64le rpmautospec-rpm-macros-0.3.1-1.fc38.noarch gpg-pubkey-eb10b464-6202d9c6 libsigsegv-2.14-3.fc38.ppc64le pcre2-syntax-10.40-1.fc38.1.noarch ed-1.18-2.fc38.ppc64le fpc-srpm-macros-1.3-6.fc37.noarch openssl-libs-3.0.5-6.fc38.ppc64le binutils-gold-2.39-6.fc38.ppc64le systemd-libs-252.4-598.fc38.ppc64le fedora-release-38-0.6.noarch ansible-srpm-macros-1-8.1.fc38.noarch libpsl-0.21.2-1.fc38.ppc64le zip-3.0-35.fc38.ppc64le libdb-5.3.28-54.fc38.ppc64le rpm-build-4.18.0-8.fc38.ppc64le jansson-2.13.1-5.fc38.ppc64le pcre2-10.40-1.fc38.1.ppc64le xz-libs-5.2.9-1.fc38.ppc64le libgomp-13.0.0-0.4.fc38.ppc64le libssh-config-0.10.4-2.fc38.noarch elfutils-0.188-3.fc38.ppc64le debugedit-5.0-5.fc37.ppc64le gdb-minimal-12.1-10.fc38.ppc64le pkgconf-m4-1.8.0-3.fc38.noarch sqlite-libs-3.40.0-1.fc38.ppc64le ghc-srpm-macros-1.5.0-7.fc37.noarch libpkgconf-1.8.0-3.fc38.ppc64le fonts-srpm-macros-2.0.5-10.fc38.noarch libstdc++-13.0.0-0.4.fc38.ppc64le libcom_err-1.46.5-3.fc38.ppc64le crypto-policies-20221215-1.gita4c31a3.fc38.noarch rpm-libs-4.18.0-8.fc38.ppc64le libgcc-13.0.0-0.4.fc38.ppc64le libuuid-2.38.1-3.fc38.ppc64le sed-4.8-11.fc38.ppc64le shadow-utils-4.13-3.fc38.ppc64le util-linux-2.38.1-3.fc38.ppc64le fedora-release-common-38-0.6.noarch xz-5.2.9-1.fc38.ppc64le libacl-2.3.1-4.fc38.ppc64le go-srpm-macros-3.2.0-1.fc38.noarch libevent-2.1.12-7.fc38.ppc64le basesystem-11-14.fc37.noarch elfutils-default-yama-scope-0.188-3.fc38.noarch ncurses-libs-6.3-5.20221126.fc38.ppc64le publicsuffix-list-dafsa-20221208-1.fc38.noarch tzdata-2022g-1.fc38.noarch libpwquality-1.4.5-1.fc38.ppc64le ncurses-base-6.3-5.20221126.fc38.noarch Start: buildsrpm Start: rpmbuild -bs Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1659398400 Wrote: /builddir/build/SRPMS/xtb-6.5.1-1.fc38.src.rpm Finish: rpmbuild -bs cp: ‘var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/root/var/log’: No such file or directory INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/root/var/log/dnf.rpm.log /var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/root/var/log/dnf.librepo.log /var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/root/var/log/dnf.log Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-zi7gdgd6/xtb/xtb.spec) Config(child) 2 minutes 13 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 (timeout=115200): unbuffer mock --rebuild /var/lib/copr-rpmbuild/results/xtb-6.5.1-1.fc38.src.rpm --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1672378150.983452 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 3.5 starting (python version = 3.11.0, NVR = mock-3.5-1.fc37)... 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/results/xtb-6.5.1-1.fc38.src.rpm) Config(fedora-rawhide-ppc64le) Start: clean chroot Finish: clean chroot Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-ppc64le-bootstrap-1672378150.983452/root. INFO: reusing tmpfs at /var/lib/mock/fedora-rawhide-ppc64le-bootstrap-1672378150.983452/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: enabled HW Info plugin Mock Version: 3.5 INFO: Mock Version: 3.5 Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/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 Mock Version: 3.5 INFO: Mock Version: 3.5 Start: dnf update No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 9.8 kB/s | 3.0 kB 00:00 Copr repository 35 MB/s | 43 MB 00:01 Additional repo https_jakub_fedorapeople_org_fe 9.0 kB/s | 3.0 kB 00:00 fedora 23 kB/s | 6.7 kB 00:00 Dependencies resolved. Nothing to do. Complete! Finish: dnf update Finish: chroot init Start: build phase for xtb-6.5.1-1.fc38.src.rpm Start: build setup for xtb-6.5.1-1.fc38.src.rpm Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1659398400 Wrote: /builddir/build/SRPMS/xtb-6.5.1-1.fc38.src.rpm No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 14 kB/s | 3.0 kB 00:00 Additional repo https_jakub_fedorapeople_org_fe 8.8 kB/s | 3.0 kB 00:00 fedora 81 kB/s | 6.7 kB 00:00 Dependencies resolved. =============================================================================================================== Package Arch Version Repository Size =============================================================================================================== Installing: flexiblas-devel ppc64le 3.2.1-3.fc38 fedora 116 k gcc-gfortran ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 11 M hostname ppc64le 3.23-7.fc38 copr_base 29 k mctc-lib-devel ppc64le 0.3.0-4.fc38 copr_base 170 k meson noarch 1.0.0-1.fc38 fedora 2.0 M ninja-build ppc64le 1.11.1-1.fc38 copr_base 183 k rubygem-asciidoctor noarch 2.0.18-1.fc38 fedora 264 k test-drive-devel ppc64le 0.4.0-3.fc38 copr_base 17 k Installing dependencies: annobin-docs noarch 10.99-1.0.1.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 93 k annobin-plugin-gcc ppc64le 10.99-1.0.1.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 890 k cmake-filesystem ppc64le 3.25.1-1.fc38 copr_base 17 k cpp ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 9.8 M emacs-filesystem noarch 1:28.1-3.fc37 fedora 9.5 k expat ppc64le 2.5.0-1.fc38 copr_base 117 k flexiblas ppc64le 3.2.1-3.fc38 fedora 32 k flexiblas-netlib ppc64le 3.2.1-3.fc38 fedora 2.7 M flexiblas-netlib64 ppc64le 3.2.1-3.fc38 fedora 2.7 M flexiblas-openblas-openmp ppc64le 3.2.1-3.fc38 fedora 16 k flexiblas-openblas-openmp64 ppc64le 3.2.1-3.fc38 fedora 16 k gc ppc64le 8.2.2-1.fc38 copr_base 122 k gcc ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 30 M gcc-plugin-annobin ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 32 k glibc-devel ppc64le 2.36.9000-19.fc38 fedora 546 k guile22 ppc64le 2.2.7-6.fc38 copr_base 6.5 M json-fortran ppc64le 8.3.0-3.fc38 copr_base 107 k json-fortran-devel ppc64le 8.3.0-3.fc38 copr_base 87 k kernel-headers ppc64le 6.1.0-1.fc38 fedora 1.5 M libasan ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 477 k libatomic ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 19 k libb2 ppc64le 0.98.1-7.fc38 copr_base 26 k libgfortran ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 597 k libmpc ppc64le 1.2.1-5.fc38 copr_base 85 k libquadmath ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 195 k libquadmath-devel ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 20 k libtool-ltdl ppc64le 2.4.7-3.0.1.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 41 k libubsan ppc64le 13.0.0-0.4.fc38 https_jakub_fedorapeople_org_fedora_gcc13_arch 234 k libxcrypt-devel ppc64le 4.4.33-5.fc38 copr_base 31 k libyaml ppc64le 0.2.5-8.fc38 copr_base 70 k make ppc64le 1:4.3-11.fc38 copr_base 549 k mctc-lib ppc64le 0.3.0-4.fc38 copr_base 120 k mpdecimal ppc64le 2.5.1-4.fc38 copr_base 118 k openblas ppc64le 0.3.21-4.fc38 fedora 35 k openblas-openmp ppc64le 0.3.21-4.fc38 fedora 4.4 M openblas-openmp64 ppc64le 0.3.21-4.fc38 fedora 4.4 M python-pip-wheel noarch 22.3.1-1.fc38 fedora 1.4 M python-setuptools-wheel noarch 65.5.1-1.fc38 fedora 715 k python3 ppc64le 3.11.1-1.fc38 copr_base 28 k python3-libs ppc64le 3.11.1-1.fc38 copr_base 9.3 M python3-setuptools noarch 65.5.1-1.fc38 fedora 1.7 M ruby ppc64le 3.1.3-175.fc38 fedora 42 k ruby-default-gems noarch 3.1.3-175.fc38 fedora 43 k ruby-libs ppc64le 3.1.3-175.fc38 fedora 3.4 M rubygem-io-console ppc64le 0.5.11-175.fc38 fedora 27 k rubygem-psych ppc64le 4.0.4-175.fc38 fedora 60 k rubygems noarch 3.3.26-175.fc38 fedora 285 k rubypick noarch 1.1.1-17.fc37 fedora 9.9 k test-drive ppc64le 0.4.0-3.fc38 copr_base 55 k vim-filesystem noarch 2:9.0.1054-1.fc38 copr_base 19 k Transaction Summary =============================================================================================================== Install 58 Packages Total download size: 98 M Installed size: 397 M Downloading Packages: (1/58): cmake-filesystem-3.25.1-1.fc38.ppc64le. 57 kB/s | 17 kB 00:00 (2/58): expat-2.5.0-1.fc38.ppc64le.rpm 370 kB/s | 117 kB 00:00 (3/58): gc-8.2.2-1.fc38.ppc64le.rpm 382 kB/s | 122 kB 00:00 (4/58): json-fortran-8.3.0-3.fc38.ppc64le.rpm 2.5 MB/s | 107 kB 00:00 (5/58): hostname-3.23-7.fc38.ppc64le.rpm 392 kB/s | 29 kB 00:00 (6/58): guile22-2.2.7-6.fc38.ppc64le.rpm 47 MB/s | 6.5 MB 00:00 (7/58): json-fortran-devel-8.3.0-3.fc38.ppc64le 1.1 MB/s | 87 kB 00:00 (8/58): libb2-0.98.1-7.fc38.ppc64le.rpm 596 kB/s | 26 kB 00:00 (9/58): libmpc-1.2.1-5.fc38.ppc64le.rpm 6.9 MB/s | 85 kB 00:00 (10/58): libxcrypt-devel-4.4.33-5.fc38.ppc64le. 2.6 MB/s | 31 kB 00:00 (11/58): libyaml-0.2.5-8.fc38.ppc64le.rpm 5.6 MB/s | 70 kB 00:00 (12/58): make-4.3-11.fc38.ppc64le.rpm 26 MB/s | 549 kB 00:00 (13/58): mpdecimal-2.5.1-4.fc38.ppc64le.rpm 9.6 MB/s | 118 kB 00:00 (14/58): ninja-build-1.11.1-1.fc38.ppc64le.rpm 14 MB/s | 183 kB 00:00 (15/58): python3-3.11.1-1.fc38.ppc64le.rpm 2.9 MB/s | 28 kB 00:00 (16/58): mctc-lib-devel-0.3.0-4.fc38.ppc64le.rp 2.6 MB/s | 170 kB 00:00 (17/58): mctc-lib-0.3.0-4.fc38.ppc64le.rpm 1.7 MB/s | 120 kB 00:00 (18/58): test-drive-0.4.0-3.fc38.ppc64le.rpm 1.1 MB/s | 55 kB 00:00 (19/58): test-drive-devel-0.4.0-3.fc38.ppc64le. 364 kB/s | 17 kB 00:00 (20/58): vim-filesystem-9.0.1054-1.fc38.noarch. 1.9 MB/s | 19 kB 00:00 (21/58): python3-libs-3.11.1-1.fc38.ppc64le.rpm 49 MB/s | 9.3 MB 00:00 (22/58): annobin-docs-10.99-1.0.1.fc38.noarch.r 495 kB/s | 93 kB 00:00 (23/58): annobin-plugin-gcc-10.99-1.0.1.fc38.pp 4.1 MB/s | 890 kB 00:00 (24/58): gcc-gfortran-13.0.0-0.4.fc38.ppc64le.r 39 MB/s | 11 MB 00:00 (25/58): gcc-plugin-annobin-13.0.0-0.4.fc38.ppc 1.3 MB/s | 32 kB 00:00 (26/58): libasan-13.0.0-0.4.fc38.ppc64le.rpm 18 MB/s | 477 kB 00:00 (27/58): libatomic-13.0.0-0.4.fc38.ppc64le.rpm 1.0 MB/s | 19 kB 00:00 (28/58): libgfortran-13.0.0-0.4.fc38.ppc64le.rp 20 MB/s | 597 kB 00:00 (29/58): libquadmath-13.0.0-0.4.fc38.ppc64le.rp 8.0 MB/s | 195 kB 00:00 (30/58): libquadmath-devel-13.0.0-0.4.fc38.ppc6 511 kB/s | 20 kB 00:00 (31/58): libtool-ltdl-2.4.7-3.0.1.fc38.ppc64le. 1.9 MB/s | 41 kB 00:00 (32/58): libubsan-13.0.0-0.4.fc38.ppc64le.rpm 9.8 MB/s | 234 kB 00:00 (33/58): cpp-13.0.0-0.4.fc38.ppc64le.rpm 14 MB/s | 9.8 MB 00:00 (34/58): gcc-13.0.0-0.4.fc38.ppc64le.rpm 39 MB/s | 30 MB 00:00 (35/58): emacs-filesystem-28.1-3.fc37.noarch.rp 40 kB/s | 9.5 kB 00:00 (36/58): flexiblas-3.2.1-3.fc38.ppc64le.rpm 270 kB/s | 32 kB 00:00 (37/58): flexiblas-devel-3.2.1-3.fc38.ppc64le.r 1.6 MB/s | 116 kB 00:00 (38/58): flexiblas-openblas-openmp-3.2.1-3.fc38 456 kB/s | 16 kB 00:00 (39/58): flexiblas-openblas-openmp64-3.2.1-3.fc 458 kB/s | 16 kB 00:00 (40/58): glibc-devel-2.36.9000-19.fc38.ppc64le. 4.9 MB/s | 546 kB 00:00 (41/58): flexiblas-netlib64-3.2.1-3.fc38.ppc64l 7.4 MB/s | 2.7 MB 00:00 (42/58): flexiblas-netlib-3.2.1-3.fc38.ppc64le. 7.2 MB/s | 2.7 MB 00:00 (43/58): kernel-headers-6.1.0-1.fc38.ppc64le.rp 11 MB/s | 1.5 MB 00:00 (44/58): openblas-0.3.21-4.fc38.ppc64le.rpm 954 kB/s | 35 kB 00:00 (45/58): meson-1.0.0-1.fc38.noarch.rpm 21 MB/s | 2.0 MB 00:00 (46/58): openblas-openmp-0.3.21-4.fc38.ppc64le. 28 MB/s | 4.4 MB 00:00 (47/58): python-pip-wheel-22.3.1-1.fc38.noarch. 15 MB/s | 1.4 MB 00:00 (48/58): openblas-openmp64-0.3.21-4.fc38.ppc64l 30 MB/s | 4.4 MB 00:00 (49/58): python-setuptools-wheel-65.5.1-1.fc38. 16 MB/s | 715 kB 00:00 (50/58): python3-setuptools-65.5.1-1.fc38.noarc 27 MB/s | 1.7 MB 00:00 (51/58): ruby-default-gems-3.1.3-175.fc38.noarc 1.2 MB/s | 43 kB 00:00 (52/58): ruby-libs-3.1.3-175.fc38.ppc64le.rpm 32 MB/s | 3.4 MB 00:00 (53/58): rubygem-asciidoctor-2.0.18-1.fc38.noar 2.7 MB/s | 264 kB 00:00 (54/58): ruby-3.1.3-175.fc38.ppc64le.rpm 251 kB/s | 42 kB 00:00 (55/58): rubygem-io-console-0.5.11-175.fc38.ppc 758 kB/s | 27 kB 00:00 (56/58): rubygem-psych-4.0.4-175.fc38.ppc64le.r 1.6 MB/s | 60 kB 00:00 (57/58): rubypick-1.1.1-17.fc37.noarch.rpm 197 kB/s | 9.9 kB 00:00 (58/58): rubygems-3.3.26-175.fc38.noarch.rpm 3.2 MB/s | 285 kB 00:00 -------------------------------------------------------------------------------- Total 37 MB/s | 98 MB 00:02 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : flexiblas-3.2.1-3.fc38.ppc64le 1/58 Installing : libquadmath-13.0.0-0.4.fc38.ppc64le 2/58 Installing : libgfortran-13.0.0-0.4.fc38.ppc64le 3/58 Installing : ruby-libs-3.1.3-175.fc38.ppc64le 4/58 Installing : libmpc-1.2.1-5.fc38.ppc64le 5/58 Installing : json-fortran-8.3.0-3.fc38.ppc64le 6/58 Installing : openblas-0.3.21-4.fc38.ppc64le 7/58 Installing : cmake-filesystem-3.25.1-1.fc38.ppc64le 8/58 Installing : openblas-openmp-0.3.21-4.fc38.ppc64le 9/58 Installing : flexiblas-netlib-3.2.1-3.fc38.ppc64le 10/58 Installing : flexiblas-openblas-openmp-3.2.1-3.fc38.ppc64le 11/58 Installing : openblas-openmp64-0.3.21-4.fc38.ppc64le 12/58 Installing : flexiblas-netlib64-3.2.1-3.fc38.ppc64le 13/58 Installing : flexiblas-openblas-openmp64-3.2.1-3.fc38.ppc64le 14/58 Installing : mctc-lib-0.3.0-4.fc38.ppc64le 15/58 Installing : cpp-13.0.0-0.4.fc38.ppc64le 16/58 Installing : test-drive-0.4.0-3.fc38.ppc64le 17/58 Installing : python-setuptools-wheel-65.5.1-1.fc38.noarch 18/58 Installing : python-pip-wheel-22.3.1-1.fc38.noarch 19/58 Installing : kernel-headers-6.1.0-1.fc38.ppc64le 20/58 Installing : glibc-devel-2.36.9000-19.fc38.ppc64le 21/58 Installing : libxcrypt-devel-4.4.33-5.fc38.ppc64le 22/58 Installing : emacs-filesystem-1:28.1-3.fc37.noarch 23/58 Installing : libubsan-13.0.0-0.4.fc38.ppc64le 24/58 Installing : libtool-ltdl-2.4.7-3.0.1.fc38.ppc64le 25/58 Installing : libatomic-13.0.0-0.4.fc38.ppc64le 26/58 Installing : libasan-13.0.0-0.4.fc38.ppc64le 27/58 Installing : annobin-docs-10.99-1.0.1.fc38.noarch 28/58 Installing : vim-filesystem-2:9.0.1054-1.fc38.noarch 29/58 Installing : mpdecimal-2.5.1-4.fc38.ppc64le 30/58 Installing : libyaml-0.2.5-8.fc38.ppc64le 31/58 Installing : rubypick-1.1.1-17.fc37.noarch 32/58 Installing : ruby-3.1.3-175.fc38.ppc64le 33/58 Installing : ruby-default-gems-3.1.3-175.fc38.noarch 34/58 Installing : rubygem-io-console-0.5.11-175.fc38.ppc64le 35/58 Installing : rubygems-3.3.26-175.fc38.noarch 36/58 Installing : rubygem-psych-4.0.4-175.fc38.ppc64le 37/58 Installing : libb2-0.98.1-7.fc38.ppc64le 38/58 Installing : gc-8.2.2-1.fc38.ppc64le 39/58 Installing : guile22-2.2.7-6.fc38.ppc64le 40/58 Installing : make-1:4.3-11.fc38.ppc64le 41/58 Installing : gcc-13.0.0-0.4.fc38.ppc64le 42/58 Running scriptlet: gcc-13.0.0-0.4.fc38.ppc64le 42/58 Installing : libquadmath-devel-13.0.0-0.4.fc38.ppc64le 43/58 Installing : gcc-gfortran-13.0.0-0.4.fc38.ppc64le 44/58 Installing : json-fortran-devel-8.3.0-3.fc38.ppc64le 45/58 Installing : expat-2.5.0-1.fc38.ppc64le 46/58 Installing : python3-3.11.1-1.fc38.ppc64le 47/58 Installing : python3-libs-3.11.1-1.fc38.ppc64le 48/58 Installing : ninja-build-1.11.1-1.fc38.ppc64le 49/58 Installing : python3-setuptools-65.5.1-1.fc38.noarch 50/58 Installing : meson-1.0.0-1.fc38.noarch 51/58 Installing : mctc-lib-devel-0.3.0-4.fc38.ppc64le 52/58 Installing : annobin-plugin-gcc-10.99-1.0.1.fc38.ppc64le 53/58 Running scriptlet: annobin-plugin-gcc-10.99-1.0.1.fc38.ppc64le 53/58 Installing : gcc-plugin-annobin-13.0.0-0.4.fc38.ppc64le 54/58 Installing : rubygem-asciidoctor-2.0.18-1.fc38.noarch 55/58 Installing : test-drive-devel-0.4.0-3.fc38.ppc64le 56/58 Installing : flexiblas-devel-3.2.1-3.fc38.ppc64le 57/58 Installing : hostname-3.23-7.fc38.ppc64le 58/58 Running scriptlet: hostname-3.23-7.fc38.ppc64le 58/58 Verifying : cmake-filesystem-3.25.1-1.fc38.ppc64le 1/58 Verifying : expat-2.5.0-1.fc38.ppc64le 2/58 Verifying : gc-8.2.2-1.fc38.ppc64le 3/58 Verifying : guile22-2.2.7-6.fc38.ppc64le 4/58 Verifying : hostname-3.23-7.fc38.ppc64le 5/58 Verifying : json-fortran-8.3.0-3.fc38.ppc64le 6/58 Verifying : json-fortran-devel-8.3.0-3.fc38.ppc64le 7/58 Verifying : libb2-0.98.1-7.fc38.ppc64le 8/58 Verifying : libmpc-1.2.1-5.fc38.ppc64le 9/58 Verifying : libxcrypt-devel-4.4.33-5.fc38.ppc64le 10/58 Verifying : libyaml-0.2.5-8.fc38.ppc64le 11/58 Verifying : make-1:4.3-11.fc38.ppc64le 12/58 Verifying : mctc-lib-0.3.0-4.fc38.ppc64le 13/58 Verifying : mctc-lib-devel-0.3.0-4.fc38.ppc64le 14/58 Verifying : mpdecimal-2.5.1-4.fc38.ppc64le 15/58 Verifying : ninja-build-1.11.1-1.fc38.ppc64le 16/58 Verifying : python3-3.11.1-1.fc38.ppc64le 17/58 Verifying : python3-libs-3.11.1-1.fc38.ppc64le 18/58 Verifying : test-drive-0.4.0-3.fc38.ppc64le 19/58 Verifying : test-drive-devel-0.4.0-3.fc38.ppc64le 20/58 Verifying : vim-filesystem-2:9.0.1054-1.fc38.noarch 21/58 Verifying : annobin-docs-10.99-1.0.1.fc38.noarch 22/58 Verifying : annobin-plugin-gcc-10.99-1.0.1.fc38.ppc64le 23/58 Verifying : cpp-13.0.0-0.4.fc38.ppc64le 24/58 Verifying : gcc-13.0.0-0.4.fc38.ppc64le 25/58 Verifying : gcc-gfortran-13.0.0-0.4.fc38.ppc64le 26/58 Verifying : gcc-plugin-annobin-13.0.0-0.4.fc38.ppc64le 27/58 Verifying : libasan-13.0.0-0.4.fc38.ppc64le 28/58 Verifying : libatomic-13.0.0-0.4.fc38.ppc64le 29/58 Verifying : libgfortran-13.0.0-0.4.fc38.ppc64le 30/58 Verifying : libquadmath-13.0.0-0.4.fc38.ppc64le 31/58 Verifying : libquadmath-devel-13.0.0-0.4.fc38.ppc64le 32/58 Verifying : libtool-ltdl-2.4.7-3.0.1.fc38.ppc64le 33/58 Verifying : libubsan-13.0.0-0.4.fc38.ppc64le 34/58 Verifying : emacs-filesystem-1:28.1-3.fc37.noarch 35/58 Verifying : flexiblas-3.2.1-3.fc38.ppc64le 36/58 Verifying : flexiblas-devel-3.2.1-3.fc38.ppc64le 37/58 Verifying : flexiblas-netlib-3.2.1-3.fc38.ppc64le 38/58 Verifying : flexiblas-netlib64-3.2.1-3.fc38.ppc64le 39/58 Verifying : flexiblas-openblas-openmp-3.2.1-3.fc38.ppc64le 40/58 Verifying : flexiblas-openblas-openmp64-3.2.1-3.fc38.ppc64le 41/58 Verifying : glibc-devel-2.36.9000-19.fc38.ppc64le 42/58 Verifying : kernel-headers-6.1.0-1.fc38.ppc64le 43/58 Verifying : meson-1.0.0-1.fc38.noarch 44/58 Verifying : openblas-0.3.21-4.fc38.ppc64le 45/58 Verifying : openblas-openmp-0.3.21-4.fc38.ppc64le 46/58 Verifying : openblas-openmp64-0.3.21-4.fc38.ppc64le 47/58 Verifying : python-pip-wheel-22.3.1-1.fc38.noarch 48/58 Verifying : python-setuptools-wheel-65.5.1-1.fc38.noarch 49/58 Verifying : python3-setuptools-65.5.1-1.fc38.noarch 50/58 Verifying : ruby-3.1.3-175.fc38.ppc64le 51/58 Verifying : ruby-default-gems-3.1.3-175.fc38.noarch 52/58 Verifying : ruby-libs-3.1.3-175.fc38.ppc64le 53/58 Verifying : rubygem-asciidoctor-2.0.18-1.fc38.noarch 54/58 Verifying : rubygem-io-console-0.5.11-175.fc38.ppc64le 55/58 Verifying : rubygem-psych-4.0.4-175.fc38.ppc64le 56/58 Verifying : rubygems-3.3.26-175.fc38.noarch 57/58 Verifying : rubypick-1.1.1-17.fc37.noarch 58/58 Installed: annobin-docs-10.99-1.0.1.fc38.noarch annobin-plugin-gcc-10.99-1.0.1.fc38.ppc64le cmake-filesystem-3.25.1-1.fc38.ppc64le cpp-13.0.0-0.4.fc38.ppc64le emacs-filesystem-1:28.1-3.fc37.noarch expat-2.5.0-1.fc38.ppc64le flexiblas-3.2.1-3.fc38.ppc64le flexiblas-devel-3.2.1-3.fc38.ppc64le flexiblas-netlib-3.2.1-3.fc38.ppc64le flexiblas-netlib64-3.2.1-3.fc38.ppc64le flexiblas-openblas-openmp-3.2.1-3.fc38.ppc64le flexiblas-openblas-openmp64-3.2.1-3.fc38.ppc64le gc-8.2.2-1.fc38.ppc64le gcc-13.0.0-0.4.fc38.ppc64le gcc-gfortran-13.0.0-0.4.fc38.ppc64le gcc-plugin-annobin-13.0.0-0.4.fc38.ppc64le glibc-devel-2.36.9000-19.fc38.ppc64le guile22-2.2.7-6.fc38.ppc64le hostname-3.23-7.fc38.ppc64le json-fortran-8.3.0-3.fc38.ppc64le json-fortran-devel-8.3.0-3.fc38.ppc64le kernel-headers-6.1.0-1.fc38.ppc64le libasan-13.0.0-0.4.fc38.ppc64le libatomic-13.0.0-0.4.fc38.ppc64le libb2-0.98.1-7.fc38.ppc64le libgfortran-13.0.0-0.4.fc38.ppc64le libmpc-1.2.1-5.fc38.ppc64le libquadmath-13.0.0-0.4.fc38.ppc64le libquadmath-devel-13.0.0-0.4.fc38.ppc64le libtool-ltdl-2.4.7-3.0.1.fc38.ppc64le libubsan-13.0.0-0.4.fc38.ppc64le libxcrypt-devel-4.4.33-5.fc38.ppc64le libyaml-0.2.5-8.fc38.ppc64le make-1:4.3-11.fc38.ppc64le mctc-lib-0.3.0-4.fc38.ppc64le mctc-lib-devel-0.3.0-4.fc38.ppc64le meson-1.0.0-1.fc38.noarch mpdecimal-2.5.1-4.fc38.ppc64le ninja-build-1.11.1-1.fc38.ppc64le openblas-0.3.21-4.fc38.ppc64le openblas-openmp-0.3.21-4.fc38.ppc64le openblas-openmp64-0.3.21-4.fc38.ppc64le python-pip-wheel-22.3.1-1.fc38.noarch python-setuptools-wheel-65.5.1-1.fc38.noarch python3-3.11.1-1.fc38.ppc64le python3-libs-3.11.1-1.fc38.ppc64le python3-setuptools-65.5.1-1.fc38.noarch ruby-3.1.3-175.fc38.ppc64le ruby-default-gems-3.1.3-175.fc38.noarch ruby-libs-3.1.3-175.fc38.ppc64le rubygem-asciidoctor-2.0.18-1.fc38.noarch rubygem-io-console-0.5.11-175.fc38.ppc64le rubygem-psych-4.0.4-175.fc38.ppc64le rubygems-3.3.26-175.fc38.noarch rubypick-1.1.1-17.fc37.noarch test-drive-0.4.0-3.fc38.ppc64le test-drive-devel-0.4.0-3.fc38.ppc64le vim-filesystem-2:9.0.1054-1.fc38.noarch Complete! Finish: build setup for xtb-6.5.1-1.fc38.src.rpm Start: rpmbuild xtb-6.5.1-1.fc38.src.rpm Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1659398400 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.lhsBAU + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf xtb-6.5.1 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/xtb-6.5.1.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd xtb-6.5.1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . Patch #0 (xtb-6.5.1-fedora.patch): + echo 'Patch #0 (xtb-6.5.1-fedora.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .fedoraver --fuzz=0 patching file meson.build Patch #4 (xtb-6.3.2-environment.patch): + echo 'Patch #4 (xtb-6.3.2-environment.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .env --fuzz=0 patching file src/type/environment.f90 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.5jbFyg + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -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,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -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 -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.5.1 + export 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIE' + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIE' + export 'FCLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIE' + FCLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIE' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -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,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIE' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/meson setup --buildtype=plain --prefix=/usr --libdir=/usr/lib64 --libexecdir=/usr/libexec --bindir=/usr/bin --sbindir=/usr/sbin --includedir=/usr/include --datadir=/usr/share --mandir=/usr/share/man --infodir=/usr/share/info --localedir=/usr/share/locale --sysconfdir=/etc --localstatedir=/var --sharedstatedir=/var/lib --wrap-mode=nodownload --auto-features=enabled . redhat-linux-build -Dla_backend=custom -Dcustom_libraries=flexiblas The Meson build system Version: 1.0.0 Source dir: /builddir/build/BUILD/xtb-6.5.1 Build dir: /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build Build type: native build Project name: xtb Project version: 6.5.1 Fortran compiler for the host machine: gfortran (gcc 13.0.0 "GNU Fortran (GCC) 13.0.0 20221219 (Red Hat 13.0.0-0)") Fortran linker for the host machine: gfortran ld.bfd 2.39-6 C compiler for the host machine: gcc (gcc 13.0.0 "gcc (GCC) 13.0.0 20221219 (Red Hat 13.0.0-0)") C linker for the host machine: gcc ld.bfd 2.39-6 Host machine cpu family: ppc64 Host machine cpu: ppc64le Program git found: NO Program python3 found: YES (/usr/bin/python3) Configuring xtb_version.fh using configuration meson.build:68: WARNING: The variable(s) 'author', 'date', 'origin' in the input file 'assets/templates/version.f90' are not present in the given configuration data. Library flexiblas found: YES Run-time dependency OpenMP found: YES 4.5 Run-time dependency threads found: YES Found pkg-config: /usr/bin/pkg-config (1.8.0) Run-time dependency mctc-lib found: YES 0.3.0 Program asciidoctor found: YES (/usr/bin/asciidoctor) Configuring xtb.1 with command Configuring xcontrol.7 with command Configuring config_env.bash using configuration Configuring config_env.csh using configuration Configuring xtb.pc using configuration Configuring xtb.tcl using configuration Run-time dependency test-drive found: YES 0.4.0 Build targets in project: 5 xtb 6.5.1 User defined options auto_features : enabled bindir : /usr/bin buildtype : plain datadir : /usr/share includedir : /usr/include infodir : /usr/share/info libdir : /usr/lib64 libexecdir : /usr/libexec localedir : /usr/share/locale localstatedir : /var mandir : /usr/share/man prefix : /usr sbindir : /usr/sbin sharedstatedir : /var/lib sysconfdir : /etc wrap_mode : nodownload custom_libraries: flexiblas la_backend : custom Found ninja-1.11.1 at /usr/bin/ninja ++ date + date='Fri Dec 30 05:32:35 UTC 2022' + cat + /usr/bin/meson compile -C redhat-linux-build -j 5 --verbose ninja: Entering directory `/builddir/build/BUILD/xtb-6.5.1/redhat-linux-build' [1/322] gcc -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ libxtb.so.6.5.1.p/src_mctc_signal.c.o -MF libxtb.so.6.5.1.p/src_mctc_signal.c.o.d -o libxtb.so.6.5.1.p/src_mctc_signal.c.o -c ../src/mctc/signal.c [2/322] gcc -Itest/api/xtb_c_test.p -Itest/api -I../test/api -I../include -Ilibxtb.so.6.5.1.p -I/usr/include/mctc-lib/gcc-13.0.0 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -MD -MQ test/api/xtb_c_test.p/c_api_example.c.o -MF test/api/xtb_c_test.p/c_api_example.c.o.d -o test/api/xtb_c_test.p/c_api_example.c.o -c ../test/api/c_api_example.c [3/322] /usr/bin/meson --internal depscan xtb.p/xtb.dat xtb.p/depscan.dd /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/xtb.p/xtb-deps.json [4/322] /usr/bin/meson --internal depscan test/unit/tester.p/tester.dat test/unit/tester.p/depscan.dd /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/test/unit/tester.p/tester-deps.json [5/322] /usr/bin/meson --internal depscan libxtb.so.6.5.1.p/xtb.dat libxtb.so.6.5.1.p/depscan.dd /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/libxtb.so.6.5.1.p/xtb-deps.json [6/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_api_version.f90.o -c ../src/api/version.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/version.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [7/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_accuracy.f90.o -c ../src/mctc/accuracy.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/accuracy.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [8/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_math.f.o -c ../src/gfnff/math.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/math.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/math.f:61:14: 61 | , rab,rbc,thab,thbc,valijk, | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:61:18: 61 | , rab,rbc,thab,thbc,valijk, | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:62:30: 62 | , vecnorm,nan,nbn,rcn,snanb,deter,pi | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] [9/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_mrec.f90.o -c ../src/gfnff/mrec.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/mrec.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [10/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gfnff_rab.f.o -c ../src/gfnff/gfnff_rab.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_rab.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_rab.f:31:24: 31 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:31:27: 31 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:18:35: 18 | subroutine gfnffdrab(n,at,xyz,cn,dcn,nsrb,srblist,rab,grab) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_rab.f:184:24: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:184:27: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:184:15: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] [11/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_generator.f90.o -c ../src/gfnff/generator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/generator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [12/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_neighbourlist.f90.o -c ../src/gfnff/neighbourlist.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/neighbourlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [13/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_data.f90.o -c ../src/gfnff/data.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [14/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_blas_level1.F90.o -c ../src/mctc/blas/level1.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] [15/322] gcc -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ libxtb.so.6.5.1.p/symmetry_symmetry_i.c.o -MF libxtb.so.6.5.1.p/symmetry_symmetry_i.c.o.d -o libxtb.so.6.5.1.p/symmetry_symmetry_i.c.o -c ../symmetry/symmetry_i.c ../symmetry/symmetry_i.c: In function ‘optimize_transformation_params’: ../symmetry/symmetry_i.c:554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 554 | if( cycle >= MaxOptCycles ) | ^~ ../symmetry/symmetry_i.c:556:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 556 | printf( " optimization completed after %d cycles with f = %g\n", cycle, f ) ; | ^~~~~~ ../symmetry/symmetry_i.c: In function ‘init_axis_parameters’: ../symmetry/symmetry_i.c:1055:12: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else] 1055 | else if( axis->direction[1] <= 0 ) | ^ ../symmetry/symmetry_i.c:1052:3: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else] 1052 | if( axis->direction[0] <= 0 ) | ^ ../symmetry/symmetry_i.c: In function ‘find_improper_axes’: ../symmetry/symmetry_i.c:1409:1: warning: multi-line comment [-Wcomment] 1409 | //#pragma omp parallel for private(i,j,k, axis) \ | ^ ../symmetry/symmetry_i.c: In function ‘identify_point_group’: ../symmetry/symmetry_i.c:1691:24: warning: unused variable ‘j’ [-Wunused-variable] 1691 | int j ; | ^ [16/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_geneigval.f90.o -c ../src/mctc/lapack/geneigval.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/geneigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [17/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_stdeigval.f90.o -c ../src/mctc/lapack/stdeigval.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/stdeigval.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [18/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_boundaryconditions.f90.o -c ../src/mctc/boundaryconditions.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/boundaryconditions.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [19/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_chartools.f90.o -c ../src/mctc/chartools.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/chartools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [20/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_filetypes.f90.o -c ../src/mctc/filetypes.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/filetypes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [21/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_blas_wrap1.f90.o -c ../src/mctc/blas/wrap1.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/wrap1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [22/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_io.f90.o -c ../src/mctc/io.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/io.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [23/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_namegen.f90.o -c ../src/mctc/namegen.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/namegen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [24/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_runtypes.f90.o -c ../src/mctc/runtypes.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/runtypes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [25/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_search.f90.o -c ../src/mctc/search.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/search.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [26/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_sort.f90.o -c ../src/mctc/sort.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/sort.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [27/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_blas_level2.F90.o -c ../src/mctc/blas/level2.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] [28/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_resize.f90.o -c ../src/mctc/resize.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/resize.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/resize.f90:121:27: 121 | integer :: length, order, currentLength | 1 Warning: Unused variable ‘order’ declared at (1) [-Wunused-variable] ../src/mctc/resize.f90: In function ‘__xtb_mctc_resize_MOD_resizechar’: ../src/mctc/resize.f90:84:42: warning: ‘.tmp’ is used uninitialized [-Wuninitialized] 84 | character(len=:), allocatable :: tmp(:) | ^ ../src/mctc/resize.f90:144:25: note: ‘.tmp’ was declared here 144 | end subroutine resizeReal | ^ [29/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_systools.F90.o -c ../src/mctc/systools.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] [30/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_thresholds.f90.o -c ../src/mctc/thresholds.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/thresholds.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [31/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_version.f90.o -c ../src/mctc/version.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/version.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [32/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_symbols.f90.o -c ../src/mctc/symbols.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/symbols.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [33/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_blas_level3.F90.o -c ../src/mctc/blas/level3.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] [34/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_blas_wrap2.f90.o -c ../src/mctc/blas/wrap2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/wrap2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [35/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_mctc_constants.f90.o -c ../src/mctc/mctc_constants.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_constants.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [36/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_param_chemical_hardnesses.f90.o -c ../src/mctc/param/chemical_hardnesses.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/chemical_hardnesses.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [37/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_convert.f90.o -c ../src/mctc/convert.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/convert.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [38/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_param_atomic_masses.f90.o -c ../src/mctc/param/atomic_masses.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/atomic_masses.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [39/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_param_covalent_radii.f90.o -c ../src/mctc/param/covalent_radii.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/covalent_radii.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [40/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_param_electronegativities.f90.o -c ../src/mctc/param/electronegativities.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/electronegativities.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [41/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_param_pse.f90.o -c ../src/mctc/param/pse.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/pse.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [42/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_param_r4r2_expectation_values.f90.o -c ../src/mctc/param/r4r2_expectation_values.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/param/r4r2_expectation_values.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [43/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_mctc_param.f90.o -c ../src/mctc/mctc_param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [44/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_blas_wrap3.f90.o -c ../src/mctc/blas/wrap3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas/wrap3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/blas/wrap3.f90:77:41: 77 | subroutine mctc_sgemm233(amat, bmat, cmat, transa, transb, alpha, beta) | 1 Warning: Unused dummy argument ‘cmat’ at (1) [-Wunused-dummy-argument] ../src/mctc/blas/wrap3.f90:61:31: 61 | character(len=1) :: tra, trb | 1 Warning: Unused variable ‘trb’ declared at (1) [-Wunused-variable] [45/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_dftd3_parameters.f90.o -c ../src/disp/dftd3_parameters.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/dftd3_parameters.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [46/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_mctc_timings.f90.o -c ../src/mctc/mctc_timings.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_timings.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_timings.f90:138:28: 138 | character(len=8) :: date | 1 Warning: Unused variable ‘date’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:139:28: 139 | character(len=10) :: time | 1 Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:141:34: 141 | character(len=31) :: timestring | 1 Warning: Unused variable ‘timestring’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:142:30: 142 | integer(int64) :: values(8) | 1 Warning: Unused variable ‘values’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:140:28: 140 | character(len=5) :: zone | 1 Warning: Unused variable ‘zone’ declared at (1) [-Wunused-variable] [47/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_blas.f90.o -c ../src/mctc/blas.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/blas.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [48/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_param_atomicmass.f90.o -c ../src/param/atomicmass.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/atomicmass.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [49/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_param_atomicrad.f90.o -c ../src/param/atomicrad.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/atomicrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [50/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_param_covalentradd3.f90.o -c ../src/param/covalentradd3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/covalentradd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [51/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_param_paulingen.f90.o -c ../src/param/paulingen.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/paulingen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [52/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_param_sqrtzr4r2.f90.o -c ../src/param/sqrtzr4r2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/sqrtzr4r2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [53/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_mctc_filetools.f90.o -c ../src/mctc/mctc_filetools.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_filetools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_filetools.f90:140:38: 140 | character(len=:),allocatable :: tmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [54/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_param_vdwradd3.f90.o -c ../src/param/vdwradd3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/param/vdwradd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [55/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_dftd4_parameters.f90.o -c ../src/disp/dftd4_parameters.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/dftd4_parameters.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [56/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_mctc_strings.f90.o -c ../src/mctc/mctc_strings.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/mctc_strings.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_strings.f90:282:13: 282 | if(abs(rnum)>huge(inum)) then | 1 Warning: Change of value in conversion from ‘INTEGER(8)’ to ‘REAL(8)’ at (1) [-Wconversion] ../src/mctc/mctc_strings.f90:263:5: 263 | rnum=rnumd | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] [57/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_buffer.f90.o -c ../src/type/buffer.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/buffer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [58/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_fragments.f90.o -c ../src/type/fragments.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/fragments.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [59/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_dispersion_model.f90.o -c ../src/type/dispersion_model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/dispersion_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [60/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_basisset.f90.o -c ../src/type/basisset.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [61/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_options.f90.o -c ../src/type/options.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/options.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [62/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_atomlist.f90.o -c ../src/type/atomlist.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/atomlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/atomlist.f90:348:42: 348 | character(len=:), allocatable :: buffer | 1 Warning: Unused variable ‘buffer’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:349:34: 349 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:350:26: 350 | integer :: pos, last, n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:274:15: 274 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:256:15: 256 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:248:15: 248 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:230:15: 230 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:165:76: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iomsg’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:165:53: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:165:61: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:54: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:62: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:35: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | ^ Warning: ‘atomlist_write_formatted’ defined but not used [-Wunused-function] ../src/type/atomlist.f90:165:34: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | ^ Warning: ‘atomlist_read_formatted’ defined but not used [-Wunused-function] [63/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_iohandler.f90.o -c ../src/type/iohandler.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/iohandler.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [64/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_param.f90.o -c ../src/type/param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [65/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_topology.f90.o -c ../src/gfnff/topology.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/topology.f90:149:0: 149 | function any(self) result(tf) | Warning: ‘any’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] [66/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_pcem.f90.o -c ../src/type/pcem.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/pcem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [67/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_reader.F90.o -c ../src/type/reader.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] [68/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_shake_module.f90.o -c ../src/gfnff/shake_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/shake_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/shake_module.f90:71:15: 71 | real*8 r, dev,dist,denom | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:66:20: 66 | real*8 vel(3) | 1 Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:64:22: 64 | real*8 virsh(3),tstep | 1 Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:32:35: 32 | subroutine init_shake(nat,at,xyz,topo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/shake_module.f90:43:41: 43 | integer list(nat*(nat+1)/2),lin,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:39:29: 39 | integer :: iat,jat,i,j,jmin | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:39:34: 39 | integer :: iat,jat,i,j,jmin | 1 Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:43:38: 43 | integer list(nat*(nat+1)/2),lin,ij | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:43:34: 43 | integer list(nat*(nat+1)/2),lin,ij | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:24: 40 | real*8 :: minrij,rij,wthr | 1 Warning: Unused variable ‘minrij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:28: 40 | real*8 :: minrij,rij,wthr | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:38:30: 38 | real*8 :: wbo(nat,nat) | 1 Warning: Unused variable ‘wbo’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:33: 40 | real*8 :: minrij,rij,wthr | 1 Warning: Unused variable ‘wthr’ declared at (1) [-Wunused-variable] [69/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_data.f90.o -c ../src/type/data.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [70/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gdisp0.f90.o -c ../src/gfnff/gdisp0.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gdisp0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gdisp0.f90:103:36: 103 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:43:36: 43 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:28:28: 28 | subroutine weight_references(nat, atoms, wf, cn, gwvec, gwdcn) | ^ Warning: ‘weight_references’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:147:24: 147 | subroutine get_atomic_c6(nat, atoms, gwvec, gwdcn, c6, dc6dcn) | ^ Warning: ‘get_atomic_c6’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:349:43: 349 | real(wp) pure elemental function pair_scale(iat, jat) result(scale) | ^ Warning: ‘pair_scale’ defined but not used [-Wunused-function] [71/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_environment.f90.o -c ../src/type/environment.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/environment.f90:245:17: 245 | subroutine getLog(self, message) | 1 Warning: ‘getlog’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] ../src/type/environment.f90:254:22: 254 | logical :: isError0 | 1 Warning: Unused variable ‘iserror0’ declared at (1) [-Wunused-variable] ../src/type/environment.f90:196:18: 196 | integer :: iLog | 1 Warning: Unused variable ‘ilog’ declared at (1) [-Wunused-variable] [72/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_timer.f90.o -c ../src/type/timer.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/timer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/timer.f90:121:23: 121 | msg = self%tag(i) | 1 Warning: CHARACTER expression will be truncated in assignment (26/40) at (1) [-Wcharacter-truncation] [73/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_topology.f90.o -c ../src/type/topology.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/topology.f90:122:31: 122 | integer :: pos, last, length | 1 Warning: Unused variable ‘length’ declared at (1) [-Wunused-variable] ../src/type/topology.f90:122:17: 122 | integer :: pos, last, length | 1 Warning: Unused variable ‘pos’ declared at (1) [-Wunused-variable] [74/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_setvar.f90.o -c ../src/type/setvar.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/setvar.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [75/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gfnff_param.f90.o -c ../src/gfnff/gfnff_param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_param.f90:354:31: 354 | subroutine gfnff_set_param(n, gen, param) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] [76/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_coulomb_ewald.f90.o -c ../src/coulomb/ewald.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coulomb/ewald.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/ewald.f90:389:36: 389 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:321:36: 321 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:239:36: 239 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] [77/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_gst.f90.o -c ../src/mctc/lapack/gst.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/gst.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [78/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_mctc_global.F90.o -c ../src/mctc/mctc_global.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] [79/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_mctc_init.F90.o -c ../src/mctc/mctc_init.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/mctc/mctc_init.F90:21:7: 21 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] [80/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_error.f90.o -c ../src/mctc/error.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/error.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/error.f90:69:29: 69 | subroutine xtb_wsigint(signal) bind(c) | 1 Warning: Unused dummy argument ‘signal’ at (1) [-Wunused-dummy-argument] ../src/mctc/error.f90:78:30: 78 | subroutine xtb_wsigterm(signal) bind(c) | 1 Warning: Unused dummy argument ‘signal’ at (1) [-Wunused-dummy-argument] [81/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_trf.f90.o -c ../src/mctc/lapack/trf.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/trf.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/lapack/trf.f90:393:47: 393 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1 Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] ../src/mctc/lapack/trf.f90:362:47: 362 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1 Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] [82/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_tri.f90.o -c ../src/mctc/lapack/tri.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/tri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [83/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_solvation.f90.o -c ../src/type/solvation.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/solvation.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [84/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_frag_hess.f90.o -c ../src/gfnff/frag_hess.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/frag_hess.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/frag_hess.f90:216:36: 216 | rmaxab(atj, ati) = jab(lin(atj, ati))/1.2 | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/frag_hess.f90:501:19: 51 | subroutine eigsort4(lab,ew,u) | 2 ...... 501 | subroutine eigsort4(lab,u,ew) | 1 Warning: INTENT mismatch in argument 'lab' between (1) and (2) ../src/gfnff/frag_hess.f90:361:47: 361 | integer :: i,j,ii,jj,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:95:43: 95 | integer :: assigned_to_frag(nspin) | 1 Warning: Unused variable ‘assigned_to_frag’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:532:24: 532 | pure subroutine com(n,at,xyz,sum3) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [85/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_trs.f90.o -c ../src/mctc/lapack/trs.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/trs.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [86/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_wavefunction.f90.o -c ../src/type/wavefunction.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/wavefunction.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [87/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_neighbourlist.f90.o -c ../src/type/neighbourlist.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/neighbourlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [88/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_eigensolve.F90.o -c ../src/mctc/lapack/eigensolve.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] [89/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_vendordata.f90.o -c ../src/type/vendordata.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/vendordata.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [90/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_restart.f90.o -c ../src/type/restart.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/restart.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [91/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_wsc.f90.o -c ../src/type/wsc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [92/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_cm5.f90.o -c ../src/solv/cm5.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/cm5.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/cm5.f90:34:25: 34 | real(wp) :: dist,bkk,bkkd,bkkda | 1 Warning: Unused variable ‘bkkd’ declared at (1) [-Wunused-variable] [93/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_wignerseitzcell.f90.o -c ../src/type/wignerseitzcell.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/wignerseitzcell.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/wignerseitzcell.f90:121:30: 121 | integer :: iTr, iAt, iAtOld, jAt, jAtEnd, iWs, nWs | 1 Warning: Unused variable ‘iatold’ declared at (1) [-Wunused-variable] ../src/type/wignerseitzcell.f90:122:37: 122 | real(wp) :: ri(3), dist2, trans(3), wsWeight | 1 Warning: Unused variable ‘trans’ declared at (1) [-Wunused-variable] [94/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack_wrap.f90.o -c ../src/mctc/lapack/wrap.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack/wrap.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [95/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_lapack.f90.o -c ../src/mctc/lapack.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/lapack.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [96/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_born.f90.o -c ../src/solv/born.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/born.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/born.f90:141:34: 141 | real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12 | 1 Warning: Unused variable ‘rh2’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:27: 70 | real(wp) :: th, ch, alpi, beti, gami | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:33: 70 | real(wp) :: th, ch, alpi, beti, gami | 1 Warning: Unused variable ‘beti’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:39: 70 | real(wp) :: th, ch, alpi, beti, gami | 1 Warning: Unused variable ‘gami’ declared at (1) [-Wunused-variable] In function ‘__xtb_solv_born_MOD_compute_psi’, inlined from ‘__xtb_solv_born_MOD_compute_bornr’ at ../src/solv/born.f90:72:71: ../src/solv/born.f90:305:48: warning: ‘r1’ may be used uninitialized [-Wmaybe-uninitialized] 305 | dgj = -2.0_wp*rhab/ab+(rhab-lnab)*r1*r1 | ^ ../src/solv/born.f90: In function ‘__xtb_solv_born_MOD_compute_bornr’: ../src/solv/born.f90:141:38: note: ‘r1’ was declared here 141 | real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12 | ^ [97/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_freq_utils.f90.o -c ../src/freq/utils.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/freq/utils.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [98/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_math.f90.o -c ../src/mctc/math.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/math.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/math.f90:171:17: 171 | integer i, j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] [99/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mctc_linalg.f90.o -c ../src/mctc/linalg.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mctc/linalg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/linalg.f90:232:109: 21 | use xtb_mctc_blas | 2 ...... 232 | call dgemm('t','n',ibsize,ncol,m,1.0_dp,darray(1,jstrt),ndim,darray(1,istrt),ndim,0.0_dp,smat,ibsize) | 1 Warning: Mismatch in PURE attribute between (1) and (2) ../src/mctc/linalg.f90:306:34: 306 | real(dp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/mctc/linalg.f90:271:34: 271 | real(sp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] [100/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_kernel.f90.o -c ../src/solv/kernel.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/kernel.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/kernel.f90:731:31: 731 | real(wp) :: r1, ab, arg, eab, fgb, dfgb, bp | 1 Warning: Unused variable ‘eab’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:677:30: 677 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:678:28: 678 | real(wp) :: dd, expd, fgb, fgb2, dfgb | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:677:25: 677 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:672:24: 672 | integer :: i, j, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:618:30: 618 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:618:34: 618 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:613:24: 613 | integer :: i, j, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:26: 527 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:33: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:525:33: 525 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:22: 527 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:525:24: 525 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:17: 527 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:520:19: 520 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:520:23: 520 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:526:52: 526 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:24: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:28: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:20: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:423:26: 423 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:33: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:421:33: 421 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:416:19: 416 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:416:23: 416 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:24: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:28: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:20: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:311:54: 311 | real(wp) :: dEdbri, dEdbrj, dG(3), ap, bp, dS(3, 3) | 1 Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:310:61: 310 | real(wp) :: vec(3), r2, r1, ab, arg1, arg16, qq, fgb, fgb2, dfgb, dfgb2, egb | 1 Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:36: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:208:37: 208 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:210:23: 210 | real(wp) :: gg, expa | 1 Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:208:26: 208 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:210:17: 210 | real(wp) :: gg, expa | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:204:21: 204 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:204:26: 204 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:209:65: 209 | real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg | 1 Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:25: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:30: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:20: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:36: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:100:37: 100 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:101:40: 101 | real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg | 1 Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:100:32: 100 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:96:21: 96 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:96:26: 96 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:25: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:30: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:20: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] [101/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_state.f90.o -c ../src/solv/state.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/state.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [102/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_input.F90.o -c ../src/solv/input.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/solv/input.F90:90:0: 90 | function pgiWrapper(solvent, alpb, kernel, state, temperature, nAng, & | Warning: ‘pgiwrapper’ defined but not used [-Wunused-function] [103/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_sasa.f90.o -c ../src/solv/sasa.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/sasa.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/sasa.f90:156:21: 156 | real(wp) :: uj,uj3,ah3uj2 | 1 Warning: Unused variable ‘uj3’ declared at (1) [-Wunused-variable] ../src/solv/sasa.f90:76:22: 76 | integer :: iat, jat, ip, jj, nnj, nnk, nni, nno | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/solv/sasa.f90:76:40: 76 | integer :: iat, jat, ip, jj, nnj, nnk, nni, nno | 1 Warning: Unused variable ‘nnk’ declared at (1) [-Wunused-variable] [104/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_anharmlib.f90.o -c ../src/anharmlib.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/anharmlib.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/anharmlib.f90:34:27: 34 | integer i,j,k,kk,mem,it1,it2,icall | 1 Warning: Unused variable ‘it1’ declared at (1) [-Wunused-variable] ../src/anharmlib.f90: In function ‘__xtb_anharmlib_MOD_curveanal’: ../src/anharmlib.f90:82:45: warning: ‘mem’ may be used uninitialized [-Wmaybe-uninitialized] 82 | ityp(k)=2+int(sign(1.0d0,yy2(list(k)))) | ^ ../src/anharmlib.f90:34:23: note: ‘mem’ was declared here 34 | integer i,j,k,kk,mem,it1,it2,icall | ^ [105/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_aoparam.f90.o -c ../src/aoparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/aoparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [106/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_ddcosmo_core.f90.o -c ../src/solv/ddcosmo/core.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/ddcosmo/core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/ddcosmo/core.f90:803:6: 803 | VS=cthe | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/solv/ddcosmo/core.f90:1395:48: 1395 | real(wp) :: vvij2, vvij, tij, xij, oij, stslm, stslm2, stslm3 | 1 Warning: Unused variable ‘stslm’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1395:56: 1395 | real(wp) :: vvij2, vvij, tij, xij, oij, stslm, stslm2, stslm3 | 1 Warning: Unused variable ‘stslm2’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1395:64: 1395 | real(wp) :: vvij2, vvij, tij, xij, oij, stslm, stslm2, stslm3 | 1 Warning: Unused variable ‘stslm3’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1242:38: 1242 | real(wp) :: b, g1, g2, vvjk, tjk, f, xjk | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:38: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘d2’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:18: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘fac’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:17: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:52: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘igrid’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:29: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:59: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘inear’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:167:21: 167 | integer :: istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:22: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:66: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘jnear’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:34: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘lnl’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:42: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:66: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘swthr’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:55: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:48: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:52: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘vv’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:59: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘xt’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1133:17: 1133 | subroutine header(self) | ^ Warning: ‘header’ defined but not used [-Wunused-function] ../src/solv/ddcosmo/core.f90:1462:22: 1462 | pure subroutine ddmkxi(self, s, xi) | ^ Warning: ‘ddmkxi’ defined but not used [-Wunused-function] [107/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_approxrab.f90.o -c ../src/approxrab.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/approxrab.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/approxrab.f90:216:17: 216 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:216:21: 216 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:200:35: 200 | pure subroutine approx_rab(n,at,xyz,cn,dcndr,nsrb,srblist,shift,rab,grab) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/approxrab.f90:163:17: 163 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:163:21: 163 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:162:19: 162 | integer :: i,j,k,m | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:162:21: 162 | integer :: i,j,k,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:168:21: 168 | real(wp) :: ff,tmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:17: 117 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:21: 117 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:116:21: 116 | integer :: i,j,k,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:98:39: 98 | pure subroutine pbc_approx_rab(n,at,xyz,cn,dcndr,dcndL,nsrb,srblist,shift, & | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] [108/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_basic_geo.f90.o -c ../src/basic_geo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/basic_geo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/basic_geo.f90:380:27: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:380:32: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:18: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:22: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:260:34: 260 | real(wp) vecnorm,nan,nbn,rcn,snanb,deter,test | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:41: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1 Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:46: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1 Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:107:51: 107 | real(wp) xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1 Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] [109/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gfnff_ini2.f90.o -c ../src/gfnff/gfnff_ini2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_ini2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_ini2.f90:1609:23: 1609 | integer i,j,no,nc | 1 Warning: Unused variable ‘nc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1462:56: 1462 | integer i,ni,newi,j,newatom,tag,d,i1,ni1,iii,ii,jj,k,lin | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1326:30: 1326 | subroutine goedeckera(env,n,at,nb,pair,q,es,topo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1349:28: 1349 | real(wp) :: tsqrt2pi,bohr | 1 Warning: Unused variable ‘bohr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:30: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:22: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:33: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:24: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1343:20: 1343 | integer :: ij,lj | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1326:33: 1326 | subroutine goedeckera(env,n,at,nb,pair,q,es,topo) | 1 Warning: Unused dummy argument ‘nb’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1347:20: 1347 | real(wp) :: r2,r0 | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1346:27: 1346 | real(wp) :: gammij,sief1,sief2 | 1 Warning: Unused variable ‘sief1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1346:33: 1346 | real(wp) :: gammij,sief1,sief2 | 1 Warning: Unused variable ‘sief2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1298:24: 1298 | integer n,ii,k,j,m,i,sc1 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:47: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a10’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:37: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a7’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:40: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a8’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:43: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a9’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1140:25: 1140 | subroutine getring36(n,at,nbin,a0_in,cout,irout) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1152:21: 1152 | real*8 w(n),av,sd | 1 Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:47: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i10’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:37: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i7’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:40: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i8’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:43: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i9’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1151:64: 1151 | integer adum1(0:n),adum2(0:n),kk,j,idum(maxr),same(maxr),k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:47: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n10’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:37: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n7’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:40: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n8’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:43: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n9’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1152:24: 1152 | real*8 w(n),av,sd | 1 Warning: Unused variable ‘sd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1128:17: 1128 | integer ati,atj | 1 Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1128:21: 1128 | integer ati,atj | 1 Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1122:39: 1122 | subroutine hbonds(i,j,ci,cj,param,topo) | 1 Warning: Unused dummy argument ‘param’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1065:28: 1065 | subroutine gfnff_hbset0(n,at,xyz,sqrab,topo,nhb1,nhb2,nxb,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1079:25: 1079 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1065:32: 1065 | subroutine gfnff_hbset0(n,at,xyz,sqrab,topo,nhb1,nhb2,nxb,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:818:27: 818 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:818:65: 818 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:830:25: 830 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:818:31: 818 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:770:26: 770 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:770:73: 770 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:783:25: 783 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:770:30: 770 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:697:27: 697 | subroutine gfnff_hbset(n,at,xyz,sqrab,topo,nlist,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:709:25: 709 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:440:32: 440 | subroutine ringsatom(n,i,c,s,rings) | 1 Warning: Unused dummy argument ‘c’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:442:21: 442 | integer n,i,k,l,c(10,20,n),s(20,n),rings,rings1 | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:442:53: 442 | integer n,i,k,l,c(10,20,n),s(20,n),rings,rings1 | 1 Warning: Unused variable ‘rings1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:58:20: 58 | real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86) | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:53:25: 53 | logical etacoord,da,strange_iat,metal_iat | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:58:22: 58 | real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86) | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:67: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘hc_crit’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:17: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:29: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:53:47: 53 | logical etacoord,da,strange_iat,metal_iat | 1 Warning: Unused variable ‘metal_iat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:26: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:79: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘nnf’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:58:14: 58 | real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86) | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:53:37: 53 | logical etacoord,da,strange_iat,metal_iat | 1 Warning: Unused variable ‘strange_iat’ declared at (1) [-Wunused-variable] [110/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_bfgs.f90.o -c ../src/bfgs.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/bfgs.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bfgs.f90:131:37: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:50: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:44: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:105:28: 105 | subroutine powell(nat3,gnorm,grad,grado,dx,hess) | 1 Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:131:31: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:37: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:50: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:44: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:19: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘ddot’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:20:26: 20 | subroutine bfgs(nat3,gnorm,grad,grado,dx,hess) | 1 Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:48:31: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] [111/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_blowsy.f90.o -c ../src/blowsy.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/blowsy.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [112/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_data.f90.o -c ../src/xtb/data.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/data.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/data.f90:690:42: 690 | integer :: nElem, iZp, iSh, lAng, iKind | 1 Warning: Unused variable ‘ikind’ declared at (1) [-Wunused-variable] ../src/xtb/data.f90:619:35: 619 | subroutine initCoulomb(self, nShell, chemicalHardness, shellHardness, & | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/xtb/data.f90:368:36: 368 | subroutine writeInfo(self, unit, num) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [113/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_broyden.f90.o -c ../src/broyden.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/broyden.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/broyden.f90:42:14: 42 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/broyden.f90:62:18: 62 | real(wp) tmp(n) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [114/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_multipole.f90.o -c ../src/xtb/multipole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/multipole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [115/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_constrain_pot.f90.o -c ../src/constrain_pot.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/constrain_pot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constrain_pot.f90:284:54: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:42: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:47: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:52: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:265:38: 265 | subroutine constrain_dihedral(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:282:13: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:13: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:58: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:68: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:50: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:66: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:58: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:50: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:32: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:21: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:52: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:57: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:13: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:16: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:19: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:61: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:62: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:69: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:47: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:28: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ffc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:24: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:40: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:18: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:46: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:23: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:17: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:38: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:44: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:53: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:25: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:31: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:37: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:29: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:16: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:35: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vab’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:22: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:28: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:42: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vcb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:66: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:34: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:57: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:54: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:42: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:47: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:52: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:208:35: 208 | subroutine constrain_angle(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:224:68: 224 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:17: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:24: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:31: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:38: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:21: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:13: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:16: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:19: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:62: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:69: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:28: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ffc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:220:18: 220 | integer i,j,k,l,m,mm | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:24: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:40: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:46: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:17: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:25: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:31: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:37: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:224:66: 224 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:57: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:54: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:42: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:47: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:52: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:165:34: 165 | subroutine constrain_dist(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:180:13: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:13: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:58: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:17: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:24: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:31: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:38: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:50: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:66: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:58: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:50: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:44: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:28: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:32: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:60: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:13: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:16: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:19: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:61: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:62: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:69: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:176:16: 176 | integer i,j,k,l,m,mm | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:176:18: 176 | integer i,j,k,l,m,mm | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:22: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:18: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:177:38: 177 | real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:18: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:177:44: 177 | real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:23: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:38: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:44: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:53: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:25: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:31: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:37: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:29: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:16: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:35: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vab’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:52: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:22: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:28: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:42: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vcb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:66: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:177:32: 177 | real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:34: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:40: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:57: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:88:29: 88 | subroutine qpothess2(fix,n,at,xyz,h) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:99:40: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘dy2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:20: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:17: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:23: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:26: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:46:33: 46 | subroutine constrain_pos(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:20:35: 20 | subroutine constrain_zaxis(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [116/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_thirdorder.f90.o -c ../src/xtb/thirdorder.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/thirdorder.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [117/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_ddcosmo_solver.f90.o -c ../src/solv/ddcosmo/solver.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/ddcosmo/solver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/ddcosmo/solver.f90:532:26: 532 | integer :: iat, istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/solver.f90:528:34: 528 | real(wp) function hnorm(ddCosmo, n, x) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:509:32: 509 | pure subroutine ldm1x(ddCosmo, n, x, y) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:466:30: 466 | integer :: iat, ig, istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/solver.f90:459:28: 459 | subroutine lstarx(ddCosmo, n, x, y) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:425:26: 425 | integer :: iat, istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/solver.f90:418:24: 418 | subroutine lx(ddCosmo, n, x, y) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:89:31: 89 | integer :: it, nmat, istatus, lenb | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] In function ‘__xtb_solv_ddcosmo_solver_MOD_diis’, inlined from ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’ at ../src/solv/ddcosmo/solver.f90:144:65: ../src/solv/ddcosmo/solver.f90:241:35: warning: ‘bmat.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 241 | call makeb(n, nmat, ndiis, e, b) | ^ ../src/solv/ddcosmo/solver.f90: In function ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’: ../src/solv/ddcosmo/solver.f90:93:75: note: ‘bmat.dim[0].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ ../src/solv/ddcosmo/solver.f90:93:75: warning: ‘bmat.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] ../src/solv/ddcosmo/solver.f90:140:56: warning: ‘e_diis.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 140 | x_diis(:, nmat) = reshape(x_new, [size(x_new)]) | ^ ../src/solv/ddcosmo/solver.f90:93:63: note: ‘e_diis.dim[0].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ ../src/solv/ddcosmo/solver.f90:140:56: warning: ‘e_diis.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] 140 | x_diis(:, nmat) = reshape(x_new, [size(x_new)]) | ^ ../src/solv/ddcosmo/solver.f90:93:63: note: ‘e_diis.dim[1].stride’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ In function ‘__xtb_solv_ddcosmo_solver_MOD_diis’, inlined from ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’ at ../src/solv/ddcosmo/solver.f90:144:65: ../src/solv/ddcosmo/solver.f90:208:36: warning: ‘e_diis.dim[1].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 208 | subroutine diis(n, nmat, ndiis, x, e, b, xnew) | ^ ../src/solv/ddcosmo/solver.f90: In function ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’: ../src/solv/ddcosmo/solver.f90:93:63: note: ‘e_diis.dim[1].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ [118/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_charge_model.f90.o -c ../src/charge_model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/charge_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [119/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_gfn1.f90.o -c ../src/xtb/gfn1.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/gfn1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn1.f90:710:27: 710 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:636:17: 636 | integer :: iZp, iSh, jSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:635:33: 635 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:635:27: 635 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:637:27: 637 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] [120/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_coulomb.f90.o -c ../src/xtb/coulomb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [121/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_define.f90.o -c ../src/define.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/define.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [122/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_drsp.f.o -c ../src/drsp.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/drsp.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/drsp.f:185:72: 185 | 10 E(I-1) = E(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) ../src/drsp.f:214:72: 214 | 50 D(I) = D(I) - H | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 50 at (1) ../src/drsp.f:336:72: 336 | 10 E2(I-1) = E2(I) | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 10 at (1) ../src/drsp.f:368:72: 368 | 60 D(I) = D(I) - H | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/drsp.f:611:72: 611 | DO 80 K = 1, J | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 80 at (1) ../src/drsp.f:418:31: 418 | SUBROUTINE TRBAK3(NM,N,NV,A,M,Z) | 1 Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:502:40: 502 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘eps’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:502:44: 502 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘eta’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:502:27: 502 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:60:18: 60 | real(wp) esp,eta | 1 Warning: Unused variable ‘esp’ declared at (1) [-Wunused-variable] ../src/drsp.f: In function ‘tqlrat_’: ../src/drsp.f:350:16: warning: ‘c’ may be used uninitialized [-Wmaybe-uninitialized] 350 | IF (E2(M) .LE. C) GO TO 40 | ^ ../src/drsp.f:347:10: note: ‘c’ was declared here 347 | C = B * B | ^ [123/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_elem.f90.o -c ../src/elem.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/elem.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [124/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_enso_printout.f90.o -c ../src/enso_printout.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/enso_printout.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [125/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_david2.f90.o -c ../src/david2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/david2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/david2.f90:250:35: 250 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david2.f90:241:42: 241 | integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2 | 1 Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable] ../src/david2.f90:239:24: 239 | integer iter,ineue(1),janf!,lun1,lun2 | 1 Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable] ../src/david2.f90:239:29: 239 | integer iter,ineue(1),janf!,lun1,lun2 | 1 Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable] ../src/david2.f90:240:49: 240 | integer iideks(maxiter),idum,j,jalt,ilauf,jneu | 1 Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable] ../src/david2.f90:250:52: 250 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david2.f90:52:35: 52 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david2.f90:45:42: 45 | integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2 | 1 Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable] ../src/david2.f90:43:24: 43 | integer iter,ineue(1),janf,lun1,lun2 | 1 Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable] ../src/david2.f90:43:29: 43 | integer iter,ineue(1),janf,lun1,lun2 | 1 Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable] ../src/david2.f90:44:49: 44 | integer iideks(maxiter),idum,j,jalt,ilauf,jneu | 1 Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable] ../src/david2.f90:52:52: 52 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] [126/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_eqrot.f90.o -c ../src/eqrot.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/eqrot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [127/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_expire.f90.o -c ../src/expire.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/expire.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/expire.f90:27:20: 27 | parameter (cdate=365*lower(1) + 30.5*lower(2) + lower(3)) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘INTEGER(4)’ at (1) [-Wconversion] ../src/expire.f90:30:9: 30 | adate=365*val(1) + 30.5*val(2) + val(3) ! actual date | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/expire.f90:23:15: 23 | integer :: i,upper(3),lower(3),val(8),edate,cdate,adate | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [128/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_cqpath.f90.o -c ../src/cqpath.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/cqpath.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/cqpath.f90:521:16: 521 | integer :: i,j,k,sr,so,x,nn | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:512:37: 512 | subroutine cqpath_read_pathfile(fn,nl,nat,nstr,file_xyz,iat,energy) | 1 Warning: Unused dummy argument ‘nl’ at (1) [-Wunused-dummy-argument] ../src/cqpath.f90:521:26: 521 | integer :: i,j,k,sr,so,x,nn | 1 Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:16: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:18: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:20: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:487:19: 487 | integer :: i,so,sr | 1 Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:17: 344 | real(8) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:23: 344 | real(8) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:350:18: 350 | integer :: i,j,nf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:14: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:17: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:20: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:23: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:26: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:29: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:128:39: 128 | subroutine cqpath_repos(n,m_repos,x,e,g,x2) | 1 Warning: Unused dummy argument ‘g’ at (1) [-Wunused-dummy-argument] ../src/cqpath.f90:45:28: 45 | real(8) :: strecke_X_inc, temp_strecke_X | 1 Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:45:44: 45 | real(8) :: strecke_X_inc, temp_strecke_X | 1 Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable] ../src/cqpath.f90: In function ‘__xtb_cqpath_MOD_cqpath_repos’: ../src/cqpath.f90:261:45: warning: ‘x_wert’ may be used uninitialized [-Wmaybe-uninitialized] 261 | x_wert = x_wert + x_schritt*e2(i) | ^ ../src/cqpath.f90:151:18: note: ‘x_wert’ was declared here 151 | real(8) x_wert, x_anfang, x_ende, x_schritt | ^ [129/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_foden.f90.o -c ../src/foden.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/foden.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [130/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_fragment.f90.o -c ../src/fragment.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/fragment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/fragment.f90:75:39: 75 | integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n) | 1 Warning: Unused variable ‘iring’ declared at (1) [-Wunused-variable] ../src/fragment.f90:75:24: 75 | integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [131/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_getsymnum.f90.o -c ../src/getsymnum.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/getsymnum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [132/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfn0param.f90.o -c ../src/gfn0param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfn0param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [133/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_fixparam.f90.o -c ../src/fixparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/fixparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/fixparam.f90:86:23: 86 | integer :: i,ii,j,k,l,m,mm | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/fixparam.f90:86:25: 86 | integer :: i,ii,j,k,l,m,mm | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/fixparam.f90:86:30: 86 | integer :: i,ii,j,k,l,m,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] [134/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_ifind.f90.o -c ../src/ifind.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/ifind.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/ifind.f90: In function ‘ifind_’: ../src/ifind.f90:33:18: warning: ‘mem’ may be used uninitialized [-Wmaybe-uninitialized] 33 | end function ifind | ^ ../src/ifind.f90:22:16: note: ‘mem’ was declared here 22 | integer i,mem | ^ [135/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfn_prparam.f90.o -c ../src/gfn_prparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfn_prparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfn_prparam.f90:18:38: 18 | subroutine gfn1_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:84:38: 84 | subroutine gfn2_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:142:38: 142 | subroutine gfn0_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] [136/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_header.f90.o -c ../src/header.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/header.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [137/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_david.f.o -c ../src/david.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/david.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/david.f:653:17: 653 | integer i,m,mp1 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/david.f:653:21: 653 | integer i,m,mp1 | 1 Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable] ../src/david.f:328:17: 328 | integer i,m,mp1 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/david.f:328:21: 328 | integer i,m,mp1 | 1 Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable] ../src/david.f:60:36: 60 | real*8, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david.f:60:53: 60 | real*8, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david.f:385:36: 385 | real*4, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david.f:385:53: 385 | real*4, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david.f: In function ‘ddavid_’: ../src/david.f:54:72: warning: ‘memlun2’ may be used uninitialized [-Wmaybe-uninitialized] 54 | integer lauf,l1,l2,k,LWORK,LIWORK,INFO,ianf,i,ien,ico,ialt,memlun2 | ^ ../src/david.f: In function ‘sdavid_’: ../src/david.f:379:72: warning: ‘memlun2’ may be used uninitialized [-Wmaybe-uninitialized] 379 | integer lauf,l1,l2,k,LWORK,LIWORK,INFO,ianf,i,ien,ico,ialt,memlun2 | ^ [138/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_lebedev.f90.o -c ../src/solv/lebedev.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/lebedev.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/lebedev.f90:431:18: 431 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:410:18: 410 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:390:18: 390 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:373:18: 373 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:358:18: 358 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:344:16: 344 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:344:18: 344 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:332:16: 332 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:332:18: 332 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:322:16: 322 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/solv/lebedev.f90:322:18: 322 | real(wp) :: a,b,v | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] [139/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_lin.f90.o -c ../src/lin.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lin.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [140/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_lindh.f90.o -c ../src/lindh.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lindh.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lindh.f90:21:12: 21 | integer k, l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lindh.f90:21:15: 21 | integer k, l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:51: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘eij’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:46: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘eijk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:67: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘ejk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:28: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘ekl’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:43: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:37: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:59: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:20: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] [141/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_lin_mod.f90.o -c ../src/lin_mod.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lin_mod.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [142/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_intpack.f90.o -c ../src/intpack.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/intpack.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intpack.f90:1436:29: 1436 | integer u,v,w,uvwt,rstt,uvwth | 1 Warning: Unused variable ‘rstt’ declared at (1) [-Wunused-variable] ../src/intpack.f90:1005:34: 1005 | pure subroutine opad1(l,m,n,ga,v,d) | 1 Warning: Unused dummy argument ‘d’ at (1) [-Wunused-dummy-argument] ../src/intpack.f90:38:24: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/intpack.f90:38:36: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1 Warning: Unused variable ‘efact’ declared at (1) [-Wunused-variable] [143/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_freq_io.f90.o -c ../src/freq/io.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/freq/io.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/freq/io.f90:84:28: 84 | character(len=5) :: adum | 1 Warning: Unused variable ‘adum’ declared at (1) [-Wunused-variable] [144/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_halogen.f90.o -c ../src/xtb/halogen.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/halogen.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/halogen.f90:47:20: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:47:17: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:44:15: 44 | integer :: m,k,AA,B,X,ati,atj | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:33:26: 33 | subroutine xbpot(halData,n,at,xyz,xblist,nxb,a,exb,g) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/xtb/halogen.f90:47:25: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:45:34: 45 | real(wp) :: cc,r0ax,t13,t14,t16 | 1 Warning: Unused variable ‘t16’ declared at (1) [-Wunused-variable] [145/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_dipole.f90.o -c ../src/dipole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/dipole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dipole.f90:94:27: 94 | subroutine calc_dipole(n,at,xyz,z,nao,P,dpint,dip,d) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/dipole.f90:38:65: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/dipole.f90:39:27: 39 | real(wp) :: point(3),gm2,ttt(3),tt1,tt2,tt3,intcut | 1 Warning: Unused variable ‘gm2’ declared at (1) [-Wunused-variable] ../src/dipole.f90:34:22: 34 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:36: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:39: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:31: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:56: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘lmnfak’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:33: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:42: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:45: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:41: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:45: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘sss’ declared at (1) [-Wunused-variable] [146/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_cosmo.f90.o -c ../src/solv/cosmo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/cosmo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/cosmo.f90:801:18: 801 | real(wp) rcutn2, srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:710:29: 710 | integer :: iat, ig, ii, c1, c2, cr | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:710:33: 710 | integer :: iat, ig, ii, c1, c2, cr | 1 Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:710:37: 710 | integer :: iat, ig, ii, c1, c2, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:713:69: 713 | real(wp), allocatable :: xi(:, :), phiexp(:, :), zeta(:), ef(:, :) | 1 Warning: Unused variable ‘ef’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:711:18: 711 | real(wp) :: fep | 1 Warning: Unused variable ‘fep’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:713:59: 713 | real(wp), allocatable :: xi(:, :), phiexp(:, :), zeta(:), ef(:, :) | 1 Warning: Unused variable ‘zeta’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:637:44: 637 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:637:48: 637 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:637:52: 637 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:641:36: 641 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:637:40: 637 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:637:26: 637 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:638:26: 638 | real(wp) :: tol, r_norm | 1 Warning: Unused variable ‘r_norm’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:641:47: 641 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘rhs’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:641:59: 641 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:540:44: 540 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:540:48: 540 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:540:52: 540 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:540:40: 540 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:541:26: 541 | real(wp) :: tol, r_norm | 1 Warning: Unused variable ‘r_norm’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:544:59: 544 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:392:27: 392 | real(wp) :: xx(1), esolv, keps | 1 Warning: Unused variable ‘esolv’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:365:37: 365 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:365:52: 365 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:392:20: 392 | real(wp) :: xx(1), esolv, keps | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:365:42: 365 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:338:30: 338 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:338:35: 338 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘qat’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:338:40: 338 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:280:39: 280 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:280:64: 280 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:238:27: 238 | subroutine update(self, env, num, xyz) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:238:32: 238 | subroutine update(self, env, num, xyz) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [147/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_dtrafo.f90.o -c ../src/dtrafo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/dtrafo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dtrafo.f90:248:24: 248 | integer i,j,k,ii,jj,kk,iii,jjj,li,lj,mm,nn,m,n | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/dtrafo.f90:34:24: 34 | integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/dtrafo.f90:34:36: 34 | integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] [148/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_gbsa.f90.o -c ../src/solv/gbsa.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/gbsa.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/gbsa.f90:1136:18: 1136 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:17: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:26: 1098 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:45: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘ap’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:33: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:48: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:33: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:20: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:30: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dfgb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:36: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:42: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dfgb3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1101:20: 1101 | real(wp) :: dr(3),r | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:22: 1098 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:25: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘expd’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:24: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:29: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:17: 1098 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1100:21: 1100 | real(wp) :: grddbi,grddbj | 1 Warning: Unused variable ‘grddbi’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1100:28: 1100 | real(wp) :: grddbi,grddbj | 1 Warning: Unused variable ‘grddbj’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:15: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:17: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:19: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1092:16: 1092 | integer :: kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:23: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:52: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:17: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1101:22: 1101 | real(wp) :: dr(3),r | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:24: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:28: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:20: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:20: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1033:40: 1033 | pure subroutine addGradientHBond(nat, at, q, hbw, dhbdw, dsdrt, ghb, gradient) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:1012:26: 1012 | real(wp) :: hbed, dhbed | 1 Warning: Unused variable ‘dhbed’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:24: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘dsfw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1012:19: 1012 | real(wp) :: hbed, dhbed | 1 Warning: Unused variable ‘hbed’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1011:17: 1011 | integer :: iz, nhb | 1 Warning: Unused variable ‘iz’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1015:16: 1015 | integer :: j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1011:22: 1011 | integer :: iz, nhb | 1 Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1013:34: 1013 | real(wp) :: smaxd, sasad, sasaw | 1 Warning: Unused variable ‘sasaw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:18: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘sfw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:36: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:32: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:28: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘w3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1016:23: 1016 | real(wp) :: wbh, wah | 1 Warning: Unused variable ‘wah’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1016:18: 1016 | real(wp) :: wbh, wah | 1 Warning: Unused variable ‘wbh’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:932:49: 932 | pure subroutine update_nnlist_gbsa_sequential(nat, ntpair, ppind, xyz, lrcut, & | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:948:18: 948 | real(wp) rcutn2, lrcut2, srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:851:18: 851 | real(wp) rcutn2, lrcut2, srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:603:32: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:603:37: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:603:52: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:555:35: 555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:555:45: 555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:528:30: 528 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:528:40: 528 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:29: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:39: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:64: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:34: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:39: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:44: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:220:29: 220 | subroutine initBorn(self, env, num, vdwRad, dielectricConst, freeEnergyShift, & | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] [149/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_locmode.f90.o -c ../src/locmode.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/locmode.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/locmode.f90:22:26: 22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/locmode.f90:32:49: 32 | real(wp),allocatable:: d(:,:),u(:,:),bmat(:,:),rr(:), fl2(:) | 1 Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:29: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:42: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:57: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/locmode.f90:30:41: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1 Warning: Unused variable ‘tors’ declared at (1) [-Wunused-variable] ../src/locmode.f90:30:32: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1 Warning: Unused variable ‘vtyp’ declared at (1) [-Wunused-variable] ../src/locmode.f90:22:30: 22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/locmode.f90: In function ‘locmode_’: ../src/locmode.f90:41:17: warning: ‘highest’ may be used uninitialized [-Wmaybe-uninitialized] 41 | nvar=highest-6 | ^ ../src/locmode.f90:29:50: note: ‘highest’ was declared here 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | ^ [150/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_lopt.f90.o -c ../src/lopt.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lopt.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lopt.f90:233:9: 233 | 200 continue | 1 Warning: Label 200 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:223:12: 223 | 110 ij=ij+1 | 1 Warning: Label 110 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:213:20: 213 | 90 jl=jl+l | 1 Warning: Label 90 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:200:20: 200 | 70 jl=jl+l | 1 Warning: Label 70 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:159:17: 159 | 40 continue | 1 Warning: Label 40 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:137:17: 137 | 30 b=b+aqu*aux1**2-aux2**2 | 1 Warning: Label 30 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:100:8: 100 | 22 continue | 1 Warning: Label 22 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:98:11: 98 | 21 opn=opn+op(i,k)**2 | 1 Warning: Label 21 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:83:11: 83 | 20 d(i,i)=a1 | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:81:14: 81 | 10 d(j,i)=a0-accr*i+accr*i*j | 1 Warning: Label 10 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:37:18: 37 | integer :: auxi | 1 Warning: Unused variable ‘auxi’ declared at (1) [-Wunused-variable] [151/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_ls_rmsd.f90.o -c ../src/ls_rmsd.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/ls_rmsd.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/ls_rmsd.f90:57:35: 57 | real(dp), dimension(4,4) :: S, dS | 1 Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:40: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:44: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:48: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y3’ declared at (1) [-Wunused-variable] [152/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_aespot.f90.o -c ../src/aespot.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/aespot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/aespot.f90:22:43: 22 | integer,private, parameter :: llao (0:3) = (/ 1, 3, 6,10/) | 1 Warning: Unused PRIVATE module variable ‘llao’ declared at (1) [-Wunused-value] ../src/aespot.f90:23:43: 23 | integer,private, parameter :: llao2(0:3) = (/ 1, 3, 5, 7/) | 1 Warning: Unused PRIVATE module variable ‘llao2’ declared at (1) [-Wunused-value] ../src/aespot.f90:1093:39: 1093 | subroutine gfn2broyden_out(n,istart,nbr,q_in,dipm,qp) | 1 Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1069:40: 1069 | subroutine gfn2broyden_save(n,istart,nbr,dipm,qp,q_in) | 1 Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1047:40: 1047 | subroutine gfn2broyden_diff(n,istart,nbr,dipm,qp,q_in,dq) | 1 Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1009:18: 1009 | real(wp) rco,f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1009:21: 1009 | real(wp) rco,f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:986:14: 986 | integer i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:986:16: 986 | integer i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:24: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:27: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:32: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:37: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:961:14: 961 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:906:29: 906 | subroutine mmomgabzero(nat,at,xyz,kdmp3,kdmp5,radcn,gab3,gab5) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:915:22: 915 | integer i,j,k,l,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:18: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:20: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:30: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:33: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:757:28: 757 | subroutine aniso_grad(nat,at,xyz,q,dipm,qp,kdmp3,kdmp5, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:768:25: 768 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e01’ declared at (1) [-Wunused-variable] ../src/aespot.f90:768:29: 768 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e02’ declared at (1) [-Wunused-variable] ../src/aespot.f90:768:33: 768 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e11’ declared at (1) [-Wunused-variable] ../src/aespot.f90:772:23: 772 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:772:20: 772 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:770:45: 770 | real(wp) dgab3,dgab5,damp1,damp2,ddamp,qs2 | 1 Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:38: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:44: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:16: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:36: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:27: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:30: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:586:51: 586 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t1a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:20: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:24: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:586:59: 586 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t3a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:28: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:586:63: 586 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t4a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:32: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:38: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:44: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:16: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:36: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:27: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:30: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:20: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:24: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:28: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:32: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:406:33: 406 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:406:30: 406 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/aespot.f90:406:18: 406 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:296:23: 296 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:296:20: 296 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:289:44: 289 | real(wp) edd,e01,e02,e11,r2,tt,tt3,q1,qs2 | 1 Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:150:34: 150 | integer i,j,k,l,ii,jj,kl,kj,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:113:16: 113 | real(wp) aesi | 1 Warning: Unused variable ‘aesi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:109:29: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:109:34: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:114:16: 114 | integer i,iat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/aespot.f90:92:27: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:92:32: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:96:16: 96 | integer i,iat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:43: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:23: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:26: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:18: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:29: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:20: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:18: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:21: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:15: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:27: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:30: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:33: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:36: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:43:26: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:43:31: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:24: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] [153/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_makel.f90.o -c ../src/makel.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/makel.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [154/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_matinv.f90.o -c ../src/matinv.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/matinv.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/matinv.f90:47:21: 47 | a(i,j) = temp | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/matinv.f90:55:21: 55 | a(i,j) = temp | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/matinv.f90:63:32: 63 | if ( i.ne.k ) a(k,i) = a(k,i)/(-biga) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/matinv.f90:73:32: 73 | if ( j.ne.k ) a(j,k) = a(j,k)/biga | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/matinv.f90:77:15: 77 | a(k,k) = 1.0/biga | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/matinv.f90:90:21: 90 | a(i,j) = temp | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/matinv.f90:98:21: 98 | a(i,j) = temp | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] [155/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_intgrad.f90.o -c ../src/intgrad.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/intgrad.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intgrad.f90:1300:25: 1300 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1303:19: 1303 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:48: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘hav’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:38: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘hii’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:43: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘hjj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1299:29: 1299 | integer i,j,k,l,m,ii,jj,ij,ioff,joff,kk | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1304:65: 1304 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jshmax’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:33: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1299:18: 1299 | integer i,j,k,l,m,ii,jj,ij,ioff,joff,kk | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1265:57: 1265 | subroutine sdqint_gpu(nShell, angShell, nat, at, nbf, nao, xyz, trans, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1265:52: 1265 | subroutine sdqint_gpu(nShell, angShell, nat, at, nbf, nao, xyz, trans, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1303:27: 1303 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:56: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘shpoly’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1300:16: 1300 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:29: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘zetaij’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:17: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘zi’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:21: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘zj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1208:45: 1208 | pure subroutine build_sdq_ints_gpu(a,b,c,alpi,alpj,la,lb,kab,t,e,lx,ly,lz,v) | 1 Warning: Unused dummy argument ‘alpi’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1208:50: 1208 | pure subroutine build_sdq_ints_gpu(a,b,c,alpi,alpj,la,lb,kab,t,e,lx,ly,lz,v) | 1 Warning: Unused dummy argument ‘alpj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1208:40: 1208 | pure subroutine build_sdq_ints_gpu(a,b,c,alpi,alpj,la,lb,kab,t,e,lx,ly,lz,v) | 1 Warning: Unused dummy argument ‘c’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1070:52: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1075:19: 1075 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:14: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:17: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:20: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:43: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1074:27: 1074 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1074:30: 1074 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:14: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:38: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:41: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:35: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:44: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:47: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:18: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:29: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:20: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:50: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:53: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:32: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1035:44: 1035 | subroutine sdqint(nShell,angShell,nat,at,nbf,nao,xyz,intcut,caoshell,saoshell, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1075:27: 1075 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:18: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:21: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:34: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:30: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:25: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:15: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:36: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:42: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:27: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:30: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:33: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:36: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:41: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:26: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:31: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:24: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:974:48: 974 | real(wp) :: rij(3),rp(3),rij2,alpi,alpj,ci,cj,cc,kab,t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:898:48: 898 | real(wp) :: rij(3),rp(3),rij2,alpi,alpj,ci,cj,cc,kab,t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:823:42: 823 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc,kab,rp(3),t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:802:78: 802 | pure subroutine get_grad_overlap(icao,jcao,naoi,naoj,ishtyp,jshtyp,ri,rj,point,intcut, & | 1 Warning: Unused dummy argument ‘point’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:751:42: 751 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc,kab,rp(3),t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:607:56: 607 | pure subroutine multipole_grad_3d(ri, rj, rc, rp, ai, aj, li, lj, s1d, s3d, ds3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:557:50: 557 | pure subroutine overlap_grad_3d(ri, rj, rp, ai, aj, li, lj, s1d, s3d, ds3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:509:47: 509 | pure subroutine multipole_3d(ri, rj, rc, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘ai’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:509:51: 509 | pure subroutine multipole_3d(ri, rj, rc, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:474:41: 474 | pure subroutine overlap_3d(ri, rj, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘ai’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:474:45: 474 | pure subroutine overlap_3d(ri, rj, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:485:15: 485 | integer :: i, j, k, l | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:485:18: 485 | integer :: i, j, k, l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:386:15: 386 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:361:15: 361 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:270:15: 270 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:239:15: 239 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:168:20: 168 | integer ii,jj,m,n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] [156/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_onetri.f90.o -c ../src/onetri.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/onetri.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/onetri.f90:59:68: 19 | use xtb_mctc_blas, only : blas_symm, blas_gemm | 2 ...... 59 | call dgemm('t','n',ival,ival,n,1.d0,array,n,s2,n,0.d0,s1,ival) | 1 Warning: Mismatch in PURE attribute between (1) and (2) ../src/onetri.f90:58:60: 19 | use xtb_mctc_blas, only : blas_symm, blas_gemm | 2 ...... 58 | call dsymm('l','l',n,ival,1.d0,s1,n,array,n,0.d0,s2,n) | 1 Warning: Mismatch in PURE attribute between (1) and (2) [157/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_neighbor.f90.o -c ../src/neighbor.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/neighbor.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/neighbor.f90:178:45: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:178:27: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:27: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:30: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:33: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:36: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:24: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:178:33: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:178:30: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:241:36: 241 | real(wp) rad(94),r,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:27: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:30: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:33: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:36: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:24: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:241:24: 241 | real(wp) rad(94),r,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] [158/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_hlex.f90.o -c ../src/hlex.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/hlex.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/hlex.f90:20:22: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/hlex.f90:20:45: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘focc’ at (1) [-Wunused-dummy-argument] ../src/hlex.f90:37:30: 37 | integer :: mo,n,i,j,k,idum,ii | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/hlex.f90:37:25: 37 | integer :: mo,n,i,j,k,idum,ii | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/hlex.f90:20:47: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] [159/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_pbc.f90.o -c ../src/pbc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pbc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [160/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_pqn.f90.o -c ../src/pqn.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pqn.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pqn.f90: In function ‘ncore_’: ../src/pqn.f90:60:18: warning: ‘__result_ncore’ may be used uninitialized [-Wmaybe-uninitialized] 60 | end function ncore | ^ ../src/pqn.f90:37:37: note: ‘__result_ncore’ was declared here 37 | pure elemental integer function ncore(at) | ^ [161/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_solv_model.f90.o -c ../src/solv/model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/solv/model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/model.f90:181:19: 181 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [162/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_pbc_tools.f90.o -c ../src/pbc_tools.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pbc_tools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pbc_tools.f90:407:15: 407 | integer :: i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/pbc_tools.f90:407:17: 407 | integer :: i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pbc_tools.f90:407:19: 407 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [163/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_printmold.f90.o -c ../src/printmold.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/printmold.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/printmold.f90:49:30: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:49:43: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] ../src/printmold.f90:158:13: 158 | real*8 dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:30: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:43: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] [164/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_pseudodiag.f90.o -c ../src/pseudodiag.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pseudodiag.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pseudodiag.f90:91:37: 91 | alphaarr(i_occ,i_virt) = sqrt(0.5d0*(1.d0+d/e)) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/pseudodiag.f90:92:36: 92 | betaarr(i_occ,i_virt) = -sign(sqrt(1.d0-alphaarr(i_occ,i_virt)*alphaarr(i_occ,i_virt)),c) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/pseudodiag.f90:50:14: 50 | real*8:: b | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:48:20: 48 | integer :: bound | 1 Warning: Unused variable ‘bound’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:44:36: 44 | integer:: blocksize, batch, dest, nproc | 1 Warning: Unused variable ‘dest’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:57:46: 57 | integer, allocatable, save :: indizes(:,:) | 1 Warning: Unused variable ‘indizes’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:41:15: 41 | integer:: j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:43:42: 43 | integer:: aux_occ,aux_virt, loop_count | 1 Warning: Unused variable ‘loop_count’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:42:15: 42 | integer:: m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] [165/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_qsort.f90.o -c ../src/qsort.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/qsort.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qsort.f90:51:22: 51 | integer :: i, j, ii | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] [166/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_readl2.f90.o -c ../src/readl2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/readl2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/readl2.f90:74:12: 74 | integer i,e,ty | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [167/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_readl.f90.o -c ../src/readl.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/readl.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/readl.f90:121:5: 121 | 61 continue | 1 Warning: Label 61 at (1) defined but not used [-Wunused-label] [168/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_prmat.f90.o -c ../src/prmat.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prmat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prmat.f90:130:19: 130 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:149:14: 149 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:162:14: 162 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:163:16: 163 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:175:14: 175 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:188:17: 188 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:191:22: 191 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:221:19: 221 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:240:14: 240 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:253:14: 253 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:254:16: 254 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:266:14: 266 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:279:17: 279 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:282:22: 282 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:313:19: 313 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:332:14: 332 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:345:14: 345 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:346:16: 346 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:358:14: 358 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:371:17: 371 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:374:22: 374 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:404:19: 404 | IF(M)10,10,80 | 1 Warning: Fortran 2018 deleted feature: Arithmetic IF statement at (1) ../src/prmat.f90:423:14: 423 | 20 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 20 at (1) ../src/prmat.f90:436:14: 436 | 30 K2=K2+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 30 at (1) ../src/prmat.f90:437:16: 437 | 40 KD=KD+NKPB | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 40 at (1) ../src/prmat.f90:449:14: 449 | 60 K2=K1+KK | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 60 at (1) ../src/prmat.f90:462:17: 462 | DO 90 J=1,N | 1 Warning: Fortran 2018 deleted feature: Shared DO termination label 90 at (1) ../src/prmat.f90:465:22: 465 | 90 I2=I1+(NKPB-1)*N | 1 Warning: Fortran 2018 deleted feature: DO termination statement which is not END DO or CONTINUE with label 90 at (1) ../src/prmat.f90:116:4: 116 | 100 FORMAT('atoms : ',2X,6(4X,I4,2X)) | 1 Warning: Label 100 at (1) defined but not used [-Wunused-label] ../src/prmat.f90:503:4: 503 | 100 format(' # : ',2x,6(4x,i4,2x)) | 1 Warning: Label 100 at (1) defined but not used [-Wunused-label] ../src/prmat.f90:525:4: 525 | 100 format(' # : ',2x,6(4x,i4,2x)) | 1 Warning: Label 100 at (1) defined but not used [-Wunused-label] [169/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_rmrottr.f90.o -c ../src/rmrottr.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/rmrottr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rmrottr.f90:97:25: 97 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:26: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixx’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:41: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:46: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:31: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fiyy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:51: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fiyz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:36: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fizz’ declared at (1) [-Wunused-variable] [170/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_restart.f90.o -c ../src/restart.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/restart.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/restart.f90:173:32: 173 | subroutine write_restart_gff(env,fname,nat,version,topo) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:152:27: 152 | subroutine writeRestart(env,wfx,fname,gfn_method) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:105:19: 105 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/restart.f90:32:41: 32 | subroutine readRestart(env,wfx,fname,n,at,gfn_method,success,verbose) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:46:19: 46 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [171/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_rmsd.f90.o -c ../src/rmsd.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/rmsd.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rmsd.f90:64:32: 64 | character*80 atmp1,atmp2,atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/rmsd.f90:68:17: 68 | integer n,idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] [172/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_molecule.f90.o -c ../src/type/molecule.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/molecule.f90:702:16: 702 | integer :: i,iat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:652:23: 652 | integer :: iat,info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:650:61: 650 | real(wp) :: center(3),atmass,inertia(3,3),work(9),tmp(3,3) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:650:52: 650 | real(wp) :: center(3),atmass,inertia(3,3),work(9),tmp(3,3) | 1 Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:204:27: 204 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:202:32: 202 | integer, allocatable :: id(:) | 1 Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:204:32: 204 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘iid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:204:22: 204 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘nid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:203:54: 203 | character(len=symbolLength), allocatable :: sTmp(:) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:610:0: 610 | pure function molecular_mass(self) result(molmass) | Warning: ‘molecular_mass’ defined but not used [-Wunused-function] ../src/type/molecule.f90: In function ‘__xtb_type_molecule_MOD_mol_set_nuclear_charge’: ../src/type/molecule.f90:530:63: warning: ‘__result_ncore’ may be used uninitialized [-Wmaybe-uninitialized] 530 | self%z(i) = real(self%at(i),wp) - real(ncore(self%at(i))) | ^ ../src/type/molecule.f90:535:37: note: ‘__result_ncore’ was declared here 535 | pure elemental integer function ncore(at) | ^ [173/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_setparam.f90.o -c ../src/setparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/setparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/setparam.f90:141:26: 141 | integer,private :: idum | 1 Warning: Unused PRIVATE module variable ‘idum’ declared at (1) [-Wunused-value] [174/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_api_utils.f90.o -c ../src/api/utils.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/utils.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/utils.f90:57:72: 57 | lhs(1:length) = transfer(rhs(1:length), lhs(1:length)) // c_null_char | 1 Warning: CHARACTER expression will be truncated in assignment (1/2) at (1) [-Wcharacter-truncation] [175/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_scanparam.f90.o -c ../src/scanparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/scanparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scanparam.f90:121:35: 121 | subroutine setup_constrain_pot(n,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [176/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gfnff_eg.f90.o -c ../src/gfnff/gfnff_eg.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_eg.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_eg.f90:2792:13: 2792 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2793:13: 2793 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2794:13: 2794 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2795:13: 2795 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2796:12: 2796 | rn=tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2531:13: 2531 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2532:13: 2532 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2533:13: 2533 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2534:13: 2534 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2535:13: 2535 | rn =tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2634:13: 2634 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2223:13: 2223 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2224:13: 2224 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2225:13: 2225 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2226:13: 2226 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2227:13: 2227 | rn =tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2238:13: 2238 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2239:13: 2239 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2240:13: 2240 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2241:13: 2241 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2370:13: 2370 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1318:12: 1318 | A4=A | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1319:12: 1319 | x4=x | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:3193:38: 3193 | pure elemental function create_erfCN(k,r,r0) result(count) | 1 Warning: Unused dummy argument ‘k’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2913:43: 2913 | real*8 drax(3),drbx(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2916:18: 2916 | real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo | 1 Warning: Unused variable ‘ex1_a’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2916:24: 2916 | real*8 ex1_a,ex2_a,ex1_b,ex2_b,ex1_x,ex2_x,expo | 1 Warning: Unused variable ‘ex2_a’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2920:16: 2920 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2920:20: 2920 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2920:24: 2920 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2923:15: 2923 | integer i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2923:17: 2923 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2918:15: 2918 | real*8 qa,qb,qx | 1 Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2912:44: 2912 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1 Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2912:49: 2912 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1 Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2663:23: 2663 | integer A,B,H,C,D,n,at(n) | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2682:18: 2682 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2677:47: 2677 | real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3) | 1 Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2676:35: 2676 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2676:58: 2676 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2675:43: 2675 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2687:17: 2687 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2686:70: 2686 | real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2683:36: 2683 | real*8 gi,gi_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2678:51: 2678 | real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2691:16: 2691 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2691:20: 2691 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2691:24: 2691 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2698:36: 2698 | logical mask_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2688:31: 2688 | real*8 aterm,dterm,nbterm | 1 Warning: Unused variable ‘nbterm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2694:35: 2694 | real*8 outl_nb(topo%nb(20,B)),outl_nb_tot | 1 Warning: Unused variable ‘outl_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2694:47: 2694 | real*8 outl_nb(topo%nb(20,B)),outl_nb_tot | 1 Warning: Unused variable ‘outl_nb_tot’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2673:44: 2673 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2674:32: 2674 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2674:53: 2674 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2685:45: 2685 | real*8 rahprbh,ranbprbnb(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2682:24: 2682 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2671:51: 2671 | real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3 | 1 Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2673:49: 2673 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2674:73: 2674 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2674:94: 2674 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2684:37: 2684 | real*8 tmp1,tmp2(topo%nb(20,B)) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2672:15: 2672 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2672:18: 2672 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2672:21: 2672 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2402:23: 2402 | integer A,B,H,C,D,n,at(n) | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2421:18: 2421 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2416:47: 2416 | real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3) | 1 Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2415:35: 2415 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2415:58: 2415 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2414:43: 2414 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2426:17: 2426 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2425:70: 2425 | real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2422:36: 2422 | real*8 gi,gi_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2417:51: 2417 | real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2430:16: 2430 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2430:20: 2430 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2430:24: 2430 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2436:36: 2436 | logical mask_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2412:44: 2412 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2413:32: 2413 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2413:53: 2413 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2424:45: 2424 | real*8 rahprbh,ranbprbnb(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2421:24: 2421 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2410:51: 2410 | real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3 | 1 Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2412:49: 2412 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2413:73: 2413 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2413:94: 2413 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2423:37: 2423 | real*8 tmp1,tmp2(topo%nb(20,B)) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2411:15: 2411 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2411:18: 2411 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2411:21: 2411 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2108:17: 2108 | integer C,D | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2079:43: 2079 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2091:17: 2091 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2095:16: 2095 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2095:20: 2095 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2095:24: 2095 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2077:44: 2077 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2086:18: 2086 | real*8 ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2077:49: 2077 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2076:15: 2076 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2076:18: 2076 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2076:21: 2076 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1784:18: 1784 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1780:43: 1780 | real*8 drah(3),drbh(3),drab(3),drm(3),dralp(3),drblp(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1789:17: 1789 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1793:16: 1793 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1793:20: 1793 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1793:24: 1793 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1778:44: 1778 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1784:24: 1784 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1778:49: 1778 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1777:15: 1777 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1777:18: 1777 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1777:21: 1777 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1550:18: 1550 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1546:43: 1546 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1555:17: 1555 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1559:16: 1559 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1559:20: 1559 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1559:24: 1559 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1544:44: 1544 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1550:24: 1550 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1544:49: 1544 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1543:15: 1543 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1543:18: 1543 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1543:21: 1543 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1380:43: 1380 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1386:17: 1386 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1390:16: 1390 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1390:20: 1390 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1390:24: 1390 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1383:27: 1383 | real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1378:15: 1378 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1378:18: 1378 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1378:21: 1378 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1261:36: 1261 | real(wp) :: gammij,tsqrt2pi,r2,tmp | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1144:16: 1144 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1144:44: 1144 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1152:28: 1152 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1152:20: 1152 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1148:27: 1148 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1145:27: 1145 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1145:35: 1145 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1145:53: 1145 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1145:16: 1145 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1149:37: 1149 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1145:19: 1145 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1144:21: 1144 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1151:19: 1151 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1146:36: 1146 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1147:18: 1147 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1151:28: 1151 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1150:45: 1150 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1145:47: 1145 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1145:41: 1145 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1146:53: 1146 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1148:19: 1148 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1144:27: 1144 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1144:33: 1144 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1144:39: 1144 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1148:32: 1148 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1148:38: 1148 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1089:59: 1089 | subroutine egtors_nci_mul(i,j,k,l,rn,phi0,tshift,n,at,xyz,e,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:1099:16: 1099 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1099:47: 1099 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1102:23: 1102 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1102:38: 1102 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1102:53: 1102 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1107:28: 1107 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1106:51: 1106 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1102:30: 1102 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1102:45: 1102 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1107:20: 1107 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1106:43: 1106 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1103:27: 1103 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1100:27: 1100 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1100:35: 1100 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1100:53: 1100 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1100:16: 1100 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1104:37: 1104 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1100:19: 1100 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1099:24: 1099 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1106:19: 1106 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1101:36: 1101 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1102:18: 1102 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1106:28: 1106 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1105:45: 1105 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1100:47: 1100 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1100:41: 1100 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1101:53: 1101 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1101:22: 1101 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1101:31: 1101 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1104:22: 1104 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1103:19: 1103 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1099:30: 1099 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1099:36: 1099 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1099:42: 1099 | real*8 c0,fc,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1103:32: 1103 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1103:38: 1103 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1011:16: 1011 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1011:44: 1011 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1015:27: 1015 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1012:27: 1012 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1012:35: 1012 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1012:53: 1012 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1012:16: 1012 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1016:37: 1016 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1012:19: 1012 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1011:21: 1011 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1013:36: 1013 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1014:18: 1014 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1018:28: 1018 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1012:47: 1012 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1012:41: 1012 | real*8 dt,ea,dedb(3),dedc(3),rmul2,rmul1,deddt | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1013:53: 1013 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1015:19: 1015 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1011:27: 1011 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1011:33: 1011 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1011:39: 1011 | real*8 c0,kijk,va(3),vb(3),vc(3),cosa | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1015:32: 1015 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1015:38: 1015 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:952:48: 952 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:956:28: 956 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:56: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:956:20: 956 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:48: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:41: 954 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:34: 954 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:27: 954 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:20: 954 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:952:45: 952 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:43: 953 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:37: 953 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:952:41: 952 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:19: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:49: 954 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:33: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:23: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:28: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:41: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:45: 954 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:37: 955 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:956:41: 956 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:22: 953 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:956:38: 956 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:50: 953 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:34: 953 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:28: 953 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:880:48: 880 | subroutine egbend_nci_mul(j,i,k,c0,fc,n,at,xyz,e,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:893:48: 893 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:23: 892 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:38: 892 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:53: 892 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:897:28: 897 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:56: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:30: 892 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:45: 892 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:897:20: 897 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:48: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:895:41: 895 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:895:34: 895 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:895:27: 895 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:895:20: 895 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:893:45: 893 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:894:43: 894 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:894:37: 894 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:893:41: 893 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:19: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:895:49: 895 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:33: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:23: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:28: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:41: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:895:45: 895 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:896:37: 896 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:897:41: 897 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:891:22: 891 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:891:31: 891 | real*8 term1(3),term2(3),rab2,vab(3),vcb(3),rp | 1 Warning: Unused variable ‘term2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:894:22: 894 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:897:38: 897 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:894:50: 894 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:894:34: 894 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:894:28: 894 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:828:48: 828 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:832:28: 832 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:56: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:832:20: 832 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:48: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:830:41: 830 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:830:34: 830 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:830:27: 830 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:830:20: 830 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:828:45: 828 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:829:43: 829 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:829:37: 829 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:828:41: 828 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:19: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:830:49: 830 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:33: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:23: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:28: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:41: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:830:45: 830 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl,phi | 1 Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:831:37: 831 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:832:41: 832 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:829:22: 829 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:832:38: 832 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:829:50: 829 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:829:34: 829 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:829:28: 829 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:771:24: 771 | real(wp) :: cn_thr | 1 Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:776:23: 776 | integer :: iA,jA,jH | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:776:26: 776 | integer :: iA,jA,jH | 1 Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:774:21: 774 | integer :: lin,linAH | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:774:27: 774 | integer :: lin,linAH | 1 Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:632:51: 632 | subroutine egbond(i,iat,jat,rab,rij,drij,n,at,xyz,e,g,topo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:648:15: 648 | integer j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:101:49: 101 | real*8 repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28 | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:99:37: 99 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:97:16: 97 | logical ex, require_update | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:95:17: 95 | integer hbA,hbB | 1 Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:95:21: 95 | integer hbA,hbB | 1 Warning: Unused variable ‘hbb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:96:17: 96 | integer lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:62:50: 62 | subroutine gfnff_eg(env,pr,n,ichrg,at,xyz,makeq,g,etot,res_gff, & | 1 Warning: Unused dummy argument ‘makeq’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:103:19: 103 | real*8 omega,rn,dr,g3tmp(3,3),g4tmp(3,4) | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:102:36: 102 | real*8 gammij,eesinf,etmp,phi,valijklff | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:99:24: 99 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘qq0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:100:44: 100 | real*8 dx,dy,dz,yy,t4,t5,t6,alpha,t20 | 1 Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:99:54: 99 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘t22’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:101:56: 101 | real*8 repab,t16,t19,t26,t27,xa,ya,za,cosa,de,t28 | 1 Warning: Unused variable ‘t28’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:99:58: 99 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘t39’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:102:46: 102 | real*8 gammij,eesinf,etmp,phi,valijklff | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2397:27: 2397 | subroutine abhgfnff_eg3_mul(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo) | ^ Warning: ‘abhgfnff_eg3_mul’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:2658:27: 2658 | subroutine abhgfnff_eg3_add(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo) | ^ Warning: ‘abhgfnff_eg3_add’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3193:0: 3193 | pure elemental function create_erfCN(k,r,r0) result(count) | Warning: ‘create_erfcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3216:0: 3216 | pure elemental function create_expCN(k,r,r0) result(count) | Warning: ‘create_expcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3224:0: 3224 | pure elemental function create_dexpCN(k,r,r0) result(count) | Warning: ‘create_dexpcn’ defined but not used [-Wunused-function] [177/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_freq_project.f90.o -c ../src/freq/project.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/freq/project.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [178/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_ncoord.f90.o -c ../src/disp/ncoord.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/ncoord.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/ncoord.f90:1041:34: 1041 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:1041:38: 1041 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:969:34: 969 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:969:38: 969 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:770:42: 770 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:700:53: 700 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:700:42: 700 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:587:46: 587 | real(wp) :: rij(3), r, rco, den, rr, r2, xn, tmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:481:34: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:481:38: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:397:34: 397 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:397:38: 397 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:346:22: 346 | real(wp) :: expterm | 1 Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:292:34: 292 | real(wp) :: rij(3), r, rco, den, tmp, r2 | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] [179/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_model_hessian.f90.o -c ../src/model_hessian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/model_hessian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/model_hessian.f90:2215:4: 2215 | 777 Do kAtom = 1, nAtoms | 1 Warning: Label 777 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2650:3: 2650 | 444 Continue | 1 Warning: Label 444 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2502:3: 2502 | 20 Continue | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2279:3: 2279 | 10 Continue | 1 Warning: Label 10 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:2282:2: 2282 | 5 Continue | 1 Warning: Label 5 at (1) defined but not used [-Wunused-label] ../src/model_hessian.f90:1817:17: 1817 | real(wp) :: es,expterm,erfterm | 1 Warning: Unused variable ‘es’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1790:45: 1790 | real(wp),allocatable :: hessian(:,:,:,:) ! molecular hessian of IES | 1 Warning: Unused variable ‘hessian’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1818:19: 1818 | real(wp) :: htmp,rxr(3,3) | 1 Warning: Unused variable ‘htmp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1812:22: 1812 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1816:21: 1816 | real(wp) :: lambda | 1 Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1819:21: 1819 | real(wp) :: rcovij,rr | 1 Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1819:24: 1819 | real(wp) :: rcovij,rr | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1832:34: 1832 | real(wp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1815:27: 1815 | real(wp) :: arg,arg2,tmp,dtmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1589:21: 1589 | real(wp) :: rij(3),rij1,brij(3,2) | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1590:21: 1590 | real(wp) :: rjk(3),rjk1,brjk(3,2) | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1591:21: 1591 | real(wp) :: rkl(3),rkl1,brkl(3,2) | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1325:19: 1325 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1194:19: 1194 | real(wp) :: beta,tij,tau,dum(3,4,3,4) | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1193:35: 1193 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1 Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:979:20: 979 | real(wp) :: alpha | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:593:19: 593 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:19: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘ir’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:24: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘jr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:29: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘kr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:34: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘lr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:469:30: 469 | real(wp) :: rij(3),rij0,aij,rij2,d0ij,gij | 1 Warning: Unused variable ‘aij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:470:30: 470 | real(wp) :: rjk(3),rjk0,ajk,rjk2,d0jk,gjk | 1 Warning: Unused variable ‘ajk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:471:30: 471 | real(wp) :: rkl(3),rkl0,akl,rkl2,d0kl,gkl | 1 Warning: Unused variable ‘akl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:473:19: 473 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:472:35: 472 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1 Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:264:20: 264 | real(wp) :: alpha | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:3153:38: 3153 | subroutine getqqxy(dx,dy,qq,c6,r,r2,r3,rpa,r02,d2) | 1 Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument] ../src/model_hessian.f90:2133:21: 2133 | real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), & | 1 Warning: Unused variable ‘alphavdw’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2133:27: 2133 | real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), & | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2134:24: 2134 | & vdw(3,3), dr(3) | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2135:18: 2135 | integer kxyz, lxyz | 1 Warning: Unused variable ‘kxyz’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2135:24: 2135 | integer kxyz, lxyz | 1 Warning: Unused variable ‘lxyz’ declared at (1) [-Wunused-variable] In function ‘__xtb_modelhessian_MOD_mh_swart_torsion’, inlined from ‘__xtb_modelhessian_MOD_mh_swart’ at ../src/model_hessian.f90:133:74: ../src/model_hessian.f90:494:19: warning: ‘kl’ may be used uninitialized [-Wmaybe-uninitialized] 494 | if (ij.le.kl) cycle torsion_lAt | ^ ../src/model_hessian.f90: In function ‘__xtb_modelhessian_MOD_mh_swart’: ../src/model_hessian.f90:464:34: note: ‘kl’ was declared here 464 | integer :: i,j,k,l,ic,jc,ij,kl | ^ [180/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_reader_genformat.f90.o -c ../src/io/reader/genformat.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/genformat.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/genformat.f90:45:41: 45 | integer :: error, ndim, ii, jj, jbatch, iline | 1 Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable] ../src/io/reader/genformat.f90:43:40: 43 | character(len=:), allocatable :: line | 1 Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/io/reader/genformat.f90: In function ‘__xtb_io_reader_genformat_MOD_readhessiandftbplus’: ../src/io/reader/genformat.f90:50:7: warning: ‘error’ is used uninitialized [-Wuninitialized] 50 | if (error /= 0) then | ^ ../src/io/reader/genformat.f90:45:19: note: ‘error’ declared here 45 | integer :: error, ndim, ii, jj, jbatch, iline | ^ [181/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_writer_gaussian.f90.o -c ../src/io/writer/gaussian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [182/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_writer_orca.f90.o -c ../src/io/writer/orca.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/orca.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [183/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_dftd3.f.o -c ../src/disp/dftd3.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/dftd3.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/dftd3.f:345:4: 345 | 999 continue | 1 Warning: Label 999 at (1) defined but not used [-Wunused-label] ../src/disp/dftd3.f:377:15: 377 | integer i,j,a,b | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:363:28: 363 | . izi,izj,iat,jat,c6check,dc6i,dc6j) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f:377:17: 377 | integer i,j,a,b | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:363:32: 363 | . izi,izj,iat,jat,c6check,dc6i,dc6j) | 1 Warning: Unused dummy argument ‘jat’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f:59:24: 59 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:46: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘c8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:61: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘damp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:33: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:20: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:26: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:59:18: 59 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:60:27: 60 | real(wp) expterm,dcni | 1 Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:47: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘displ’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:41: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘dispr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:57:19: 57 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:57:24: 57 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:17: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:20: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:23: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:43: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:47: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:36: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:57: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘e6abc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:39: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:42:18: 42 | logical echo | 1 Warning: Unused variable ‘echo’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:25: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘gc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:18: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:30: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:22: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:34: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:26: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:38: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:44:23: 44 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:44:25: 44 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:38: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:79:19: 79 | real(wp) labc,rabc | 1 Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:23: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:29: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:35: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:17: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:41: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:45: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:52: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘r235’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:79:24: 79 | real(wp) labc,rabc | 1 Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:54:28: 54 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:55:23: 55 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:54:35: 54 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:55:32: 55 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:51: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:52:18: 52 | real(wp) rs6,rs8 | 1 Warning: Unused variable ‘rs6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:52:22: 52 | real(wp) rs6,rs8 | 1 Warning: Unused variable ‘rs8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:50:20: 50 | real(wp) rthr3,s6 | 1 Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:18: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘s10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:35: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:55: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:30: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘term’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:57: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:66:21: 66 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:66:29: 66 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:42: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:36: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:45: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:39: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:48: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:469:24: 469 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:46: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘c8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:61: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘damp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:33: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:20: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:26: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:61: 491 | real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang | 1 Warning: Unused variable ‘dang’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:469:18: 469 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:50: 491 | real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang | 1 Warning: Unused variable ‘dc9’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:470:27: 470 | real(wp) expterm,dcni | 1 Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:56: 491 | real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang | 1 Warning: Unused variable ‘dfdmp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:33: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:47: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘displ’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:41: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘dispr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:467:19: 467 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:467:24: 467 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:17: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:20: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:23: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:43: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:47: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:36: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:57: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘e6abc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:39: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:470:22: 470 | real(wp) expterm,dcni | 1 Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:25: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘gc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:18: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:30: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:22: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:34: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:26: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:38: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:456:23: 456 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:456:25: 456 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:38: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:487:19: 487 | real(wp) labc,rabc | 1 Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:23: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:29: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:35: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:17: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:41: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:45: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:52: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘r235’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:31: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r4’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:28: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘r42’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:34: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:38: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘r7’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:37: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:41: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘r9’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:487:24: 487 | real(wp) labc,rabc | 1 Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:468:21: 468 | real(wp) rcovij | 1 Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:28: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:465:23: 465 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:35: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:465:32: 465 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:51: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:462:20: 462 | real(wp) rthr3,s6 | 1 Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:18: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘s10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:35: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:55: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:48: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:51: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:30: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘term’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:52: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:57: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:476:21: 476 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:476:29: 476 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:480:31: 480 | real(wp) dc6iji,dc6ijj,x1 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:42: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:36: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:45: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:39: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:48: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:598:39: 598 | real(wp) cn1,cn2,r,rsum,csum,tmp,tmp1 | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [184/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_dftd3.f90.o -c ../src/disp/dftd3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/dftd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/dftd3.f90:745:60: 745 | integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik | 1 Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:723:42: 723 | & (mol, neighs, neighlist, par, r4r2, c6, dc6dcn, & | 1 Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:693:27: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:32: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:63: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘d10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:54: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘d6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:58: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘d8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:47: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘ddisp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:17: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘de’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:24: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:40: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:34: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:17: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:36: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:41: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘img’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:22: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:25: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:37: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:21: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘r4r2ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:33: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:50: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:41: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:45: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:484:29: 484 | & (mol, neighs, neighs3, neighlist, par, weighting_factor, & | 1 Warning: Unused dummy argument ‘neighs3’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:393:38: 393 | & (mol, trans, cutoff, par, r4r2, c6, dc6dcn, & | 1 Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:72:36: 72 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:884:0: 884 | elemental function pair_scale(iat, jat) result(scale) | Warning: ‘pair_scale’ defined but not used [-Wunused-function] [185/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_writer_turbomole.f90.o -c ../src/io/writer/turbomole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/writer/turbomole.f90: In function ‘__xtb_io_writer_turbomole_MOD_writenormalmodesturbomole’: ../src/io/writer/turbomole.f90:157:18: warning: ‘h.offset’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[0].lbound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[0].ubound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[1].lbound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[1].ubound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ [186/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_writer.f90.o -c ../src/io/writer.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/writer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/writer.f90:36:66: 36 | subroutine writeMolecule(self, unit, format, energy, gnorm, number) | 1 Warning: Unused dummy argument ‘number’ at (1) [-Wunused-dummy-argument] [187/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_identitymap.f90.o -c ../src/type/identitymap.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/identitymap.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [188/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_main_json.f90.o -c ../src/main/json.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/main/json.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/main/json.f90:63:15: 63 | (ijson, mol, wfx, xbas, sccres, freqres) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/main/json.f90:63:26: 63 | (ijson, mol, wfx, xbas, sccres, freqres) | 1 Warning: Unused dummy argument ‘xbas’ at (1) [-Wunused-dummy-argument] [189/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_calculator.f90.o -c ../src/type/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [190/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_latticepoint.f90.o -c ../src/type/latticepoint.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/latticepoint.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [191/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_coffee.f90.o -c ../src/coffee.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coffee.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [192/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_repulsion.F90.o -c ../src/xtb/repulsion.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/xtb/repulsion.F90:186:41: 186 | real(wp) :: alpha, zeff, kExp, cutoff2 | 1 Warning: Unused variable ‘cutoff2’ declared at (1) [-Wunused-variable] [193/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_cube.f90.o -c ../src/cube.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/cube.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/cube.f90:221:40: 221 | cb(k,j,i)=cb(k,j,i)+cc*f1*f2 | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/cube.f90:38:41: 38 | subroutine cube(n,nmo,nbf,xyz,at,cmo,eval,occ,fname,basis) | 1 Warning: Unused dummy argument ‘eval’ at (1) [-Wunused-dummy-argument] ../src/cube.f90:63:23: 63 | real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/cube.f90:62:18: 62 | real*8 thr,thr3,intcut,intcut2 | 1 Warning: Unused variable ‘thr3’ declared at (1) [-Wunused-variable] ../src/cube.f90:64:55: 64 | real*8 step,px,py,pz,xinc,yinc,zinc,nx,ny,nz,vv(1),v,est,nfod | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/cube.f90:63:30: 63 | real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3 | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/cube.f90:64:53: 64 | real*8 step,px,py,pz,xinc,yinc,zinc,nx,ny,nz,vv(1),v,est,nfod | 1 Warning: Unused variable ‘vv’ declared at (1) [-Wunused-variable] [194/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_detrotra.f90.o -c ../src/detrotra.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/detrotra.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [195/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_coordinationnumber.f90.o -c ../src/disp/coordinationnumber.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [196/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_anc.f90.o -c ../src/type/anc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/anc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/anc.f90:365:84: 20 | use xtb_mctc_blas | 2 ...... 365 | call dgemv('n',self%n3,self%nvar,1.0_wp,self%B,self%n3,self%coord,1,1.0_wp,xyz,1) | 1 Warning: Mismatch in PURE attribute between (1) and (2) ../src/type/anc.f90:361:18: 361 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:17: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:19: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:21: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:15: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:225:30: 225 | subroutine generate_anc_packed(self,xyz,hess,pr) | ^ Warning: ‘generate_anc_packed’ defined but not used [-Wunused-function] [197/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_type_coulomb.f90.o -c ../src/type/coulomb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/type/coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/coulomb.f90:177:21: 177 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [198/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_generate_wsc.f90.o -c ../src/generate_wsc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/generate_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/generate_wsc.f90:32:24: 32 | integer :: ii,jj,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [199/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_dftd4.F90.o -c ../src/disp/dftd4.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/disp/dftd4.F90:2124:51: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:17: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘c9’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:28: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘ccc1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:79: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:57: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dang’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:22: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dc9’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:70: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dfdmp’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:75: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dgr’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:63: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘fdmp’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:34: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘rrr1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:40: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘rrr2’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:46: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘rrr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1971:72: 1971 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘dedq’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1971:53: 1971 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1785:53: 1785 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1545:60: 1545 | integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik | 1 Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:871:31: 871 | real(wp) :: twf,norm,aiw(23) | 1 Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:859:42: 859 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6) | 1 Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:859:46: 859 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6) | 1 Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:869:26: 869 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:869:22: 869 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:826:19: 826 | real(wp) :: qmod,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:740:19: 740 | real(wp) :: qmod,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:652:40: 652 | subroutine build_wdispmat(dispm,nat,ndim,at,itbl,xyz,par,c6abns,gw,wdispmat) | 1 Warning: Unused dummy argument ‘ndim’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:665:57: 665 | real(wp) :: c8abns,c10abns,r2,cutoff,oor6,oor8,oor10,r,gwgw,r4r2ij | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:595:31: 595 | real(wp) :: twf,norm,aiw(23) | 1 Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:582:38: 582 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns) | 1 Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:582:42: 582 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns) | 1 Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:593:26: 593 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:593:22: 593 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:385:30: 385 | real(wp) :: tmp1, tmp2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:385:36: 385 | real(wp) :: tmp1, tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:278:21: 278 | & gw,c6abns,molc6,molc8,molpol,aout,cout,rout,vout) | 1 Warning: Unused dummy argument ‘c6abns’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:296:27: 296 | integer :: i,ii,ia,j,jj,ja,k,l | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:296:34: 296 | integer :: i,ii,ia,j,jj,ja,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:298:19: 298 | real(wp) :: qmod,oth,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:277:40: 277 | subroutine mdisp(dispm,nat,ndim,at,q,xyz,g_a,g_c, & | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:62:28: 62 | integer :: cncount(0:18) | 1 Warning: Unused variable ‘cncount’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:26: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:40: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:31: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] [200/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_dispersion.f90.o -c ../src/xtb/dispersion.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/dispersion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/dispersion.f90:80:34: 80 | integer, allocatable :: itbl(:) | 1 Warning: Unused variable ‘itbl’ declared at (1) [-Wunused-variable] [201/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_coulomb_gaussian.f90.o -c ../src/coulomb/gaussian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coulomb/gaussian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/gaussian.f90:145:21: 145 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [202/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_coulomb_klopmanohno.f90.o -c ../src/coulomb/klopmanohno.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/coulomb/klopmanohno.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/klopmanohno.f90:198:21: 198 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [203/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_getname.f90.o -c ../src/getname.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/getname.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [204/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_iniq.f90.o -c ../src/iniq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/iniq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [205/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_eeq_model.f90.o -c ../src/eeq_model.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/eeq_model.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/eeq_model.f90:1078:18: 1078 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1087:17: 1087 | real(wp) :: cf ! convergence factor | 1 Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1068:41: 1068 | real(wp),allocatable :: dAmatdL(:,:,:) | 1 Warning: Unused variable ‘damatdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:36: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1078:27: 1078 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1070:41: 1070 | real(wp),allocatable :: dXvecdL(:,:,:) | 1 Warning: Unused variable ‘dxvecdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1111:35: 1111 | real(wp) :: gborn, ghb, r3, erft | 1 Warning: Unused variable ‘erft’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:20: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1077:20: 1077 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1077:27: 1077 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1075:20: 1075 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1075:22: 1075 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1076:16: 1076 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1076:26: 1076 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1111:29: 1111 | real(wp) :: gborn, ghb, r3, erft | 1 Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1089:36: 1089 | integer :: rep_cn(3) | 1 Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1076:23: 1076 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:27: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:46: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1085:20: 1085 | integer :: wscAt | 1 Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:735:18: 735 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:36: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:735:27: 735 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:20: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:734:20: 734 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:734:27: 734 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:20: 732 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:22: 732 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:733:16: 733 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:733:26: 733 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:733:23: 733 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:27: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:46: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:742:20: 742 | integer :: wscAt | 1 Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:383:27: 383 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:381:20: 381 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:381:22: 381 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:17: 275 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:20: 275 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:23: 275 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:277:19: 277 | real(wp) :: t(3),dtmp,stmp(3) | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:17: 245 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:20: 245 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:23: 245 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:247:19: 247 | real(wp) :: t(3) | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:184:22: 184 | real(wp) :: gVec(3) | 1 Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:17: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:22: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:27: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:32: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:96:44: 96 | real(wp) :: gamii, gamij, riw(3), gVec(3) | 1 Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:34: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:39: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:44: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:49: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] [206/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_gfn2.f90.o -c ../src/xtb/gfn2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn2.f90:878:27: 878 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:818:17: 818 | integer :: iZp, iSh, jSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:33: 817 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:27: 817 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:819:27: 819 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] [207/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_printout.f90.o -c ../src/printout.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/printout.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/printout.f90:74:19: 74 | real(wp) :: dum5 | 1 Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable] ../src/printout.f90:72:15: 72 | integer :: i,l,err | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/printout.f90:59:32: 59 | subroutine setup_summary(iunit,n,fname,xcontrol,wfx,xrc) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/printout.f90:59:51: 59 | subroutine setup_summary(iunit,n,fname,xcontrol,wfx,xrc) | 1 Warning: Unused dummy argument ‘wfx’ at (1) [-Wunused-dummy-argument] ../src/printout.f90:38:43: 38 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [208/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_lidep.f90.o -c ../src/lidep.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/lidep.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lidep.f90:520:49: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:520:27: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:534:15: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:536:44: 536 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:520:45: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:534:45: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:536:35: 536 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:17: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:35: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:42: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/lidep.f90:520:53: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:473:48: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:473:26: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:491:36: 491 | real(wp),allocatable :: Haux(:,:),Paux(:,:) | 1 Warning: Unused variable ‘haux’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:15: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:489:44: 489 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:473:44: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:487:45: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:489:35: 489 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:17: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:35: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:42: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/lidep.f90:491:46: 491 | real(wp),allocatable :: Haux(:,:),Paux(:,:) | 1 Warning: Unused variable ‘paux’ declared at (1) [-Wunused-variable] ../src/lidep.f90:473:52: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:433:20: 433 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lidep.f90:433:22: 433 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/lidep.f90:423:31: 423 | subroutine buildtrafoX(ndim,ssq,U,sisq,newdim,X) | 1 Warning: Unused dummy argument ‘ssq’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:364:24: 364 | integer :: i,j,imax | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/lidep.f90:364:19: 364 | integer :: i,j,imax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:173:16: 173 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:177:34: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1 Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable] ../src/lidep.f90:177:42: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1 Warning: Unused variable ‘p2’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:19: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:25: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:27: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] [209/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_qpot.f90.o -c ../src/qpot.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/qpot.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qpot.f90:202:48: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/qpot.f90:200:13: 200 | logical da | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:27: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:18: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:26: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:23: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:45: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘pi’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:33: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:30: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/qpot.f90:136:18: 136 | integer i,j,k,l,n | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/qpot.f90:28:26: 28 | character(80) fname,a80 | 1 Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable] ../src/qpot.f90:26:33: 26 | integer i,j,k,nread,at(natoms) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/qpot.f90:29:13: 29 | logical ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/qpot.f90:28:22: 28 | character(80) fname,a80 | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/qpot.f90:18:29: 18 | subroutine qpotini(natoms,iat,xyz) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] ../src/qpot.f90:26:22: 26 | integer i,j,k,nread,at(natoms) | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/qpot.f90:27:26: 27 | real(wp) xyzf(3,natoms),rij(3) | 1 Warning: Unused variable ‘xyzf’ declared at (1) [-Wunused-variable] ../src/qpot.f90:57:17: 57 | integer n,nn,j,nat,k,nfix | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/qpot.f90:57:23: 57 | integer n,nn,j,nat,k,nfix | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/qpot.f90:88:30: 88 | subroutine rdfix(nat,n,xyz,iat,fname,fixed) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] [210/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_gfn0.f90.o -c ../src/xtb/gfn0.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn0.f90:792:22: 792 | integer :: iZp, iSh | 1 Warning: Unused variable ‘ish’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:792:17: 792 | integer :: iZp, iSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:33: 791 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:27: 791 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:793:27: 793 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:767:35: 767 | subroutine initCoulomb(self, nShell) | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] [211/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_esp.f.o -c ../src/esp.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/esp.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/esp.f:404:17: 404 | integer i,j,k,nbin,bin(10) | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/esp.f:316:17: 316 | dimension d(3),dd(84),ddd(35) | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/esp.f:258:46: 258 | real*8 xyza(3),xyzb(3),rab,est,gama,arg,cc | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/esp.f:256:21: 256 | integer i,j,k,l,iprimcount,jprimcount | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/esp.f:257:45: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/esp.f:257:48: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/esp.f:257:40: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/esp.f:257:42: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/esp.f:257:51: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/esp.f:257:54: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/esp.f:196:45: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/esp.f:196:37: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/esp.f:196:41: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable] ../src/esp.f:180:41: 180 | subroutine espints(n,nbf,xyz,intcut,point,pthr,P, | 1 Warning: Unused dummy argument ‘intcut’ at (1) [-Wunused-dummy-argument] ../src/esp.f:194:21: 194 | integer i,j,k,l,iprimcount,jprimcount,ppp | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/esp.f:195:45: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/esp.f:195:48: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/esp.f:195:40: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/esp.f:195:42: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/esp.f:195:51: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/esp.f:195:54: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/esp.f:196:33: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/esp.f:197:25: 197 | real*8 tt1,ttt,thr,cce,pthr2 | 1 Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] [212/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_readin.f90.o -c ../src/readin.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/readin.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/readin.f90:325:31: 325 | subroutine readlog(fname,nat,at,xyz,nstruc) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/readin.f90:336:26: 336 | real(wp) :: floats(3),f | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/readin.f90:338:18: 338 | integer :: j,k,cs,cf,ncheck | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/readin.f90:338:31: 338 | integer :: j,k,cs,cf,ncheck | 1 Warning: Unused variable ‘ncheck’ declared at (1) [-Wunused-variable] ../src/readin.f90:280:21: 280 | integer :: i,j,k,l,err | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] [213/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_eeq.f90.o -c ../src/xtb/eeq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/eeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [214/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfn_paramset.f90.o -c ../src/gfn_paramset.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfn_paramset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfn_paramset.f90:60:7: 60 | use xtb_aoparam, only : kpair | 1 Warning: Unused module variable ‘kpair’ which has been explicitly imported at (1) [-Wunused-variable] ../src/gfn_paramset.f90:47:42: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:47:34: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:47:50: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:42: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:34: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:50: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:42: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:34: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:50: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] [215/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_reader_orca.f90.o -c ../src/io/reader/orca.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/orca.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/orca.f90:50:41: 50 | integer :: error, ndim, ii, jj, jbatch, iline | 1 Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable] ../src/io/reader/orca.f90:38:47: 38 | subroutine readHessianOrca(hessian, reader, mol, status, iomsg) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] [216/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_reader_turbomole.f90.o -c ../src/io/reader/turbomole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [217/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_disp_encharges.f90.o -c ../src/disp/encharges.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/disp/encharges.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [218/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_shake_module.f90.o -c ../src/shake_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/shake_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/shake_module.f90:141:2: 141 | 99 ncons = nconsu | 1 Warning: Label 99 at (1) defined but not used [-Wunused-label] ../src/shake_module.f90:168:13: 168 | real(wp) r, dev,dist,denom | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:163:18: 163 | real(wp) vel(3) | 1 Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:161:20: 161 | real(wp) virsh(3),tstep | 1 Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:50:19: 50 | integer :: nbond | 1 Warning: Unused variable ‘nbond’ declared at (1) [-Wunused-variable] ../src/shake_module.f90: In function ‘__xtb_shake_MOD_init_shake’: ../src/shake_module.f90:89:15: warning: ‘jmin’ may be used uninitialized [-Wmaybe-uninitialized] 89 | if(at(jmin).eq.1) then | ^ ../src/shake_module.f90:53:30: note: ‘jmin’ was declared here 53 | integer :: iat,jat,i,j,jmin | ^ [219/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_filetools.F90.o -c ../src/filetools.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/filetools.F90:87:20: 87 | logical :: opened | 1 Warning: Unused variable ‘opened’ declared at (1) [-Wunused-variable] [220/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_io_reader.f90.o -c ../src/io/reader.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/io/reader.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [221/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_shiftlp.f90.o -c ../src/shiftlp.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/shiftlp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/shiftlp.f90:19:23: 19 | subroutine shiftlp(n,at,ia1,xyz,ex,ey,ez) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/shiftlp.f90: In function ‘shiftlp_’: ../src/shiftlp.f90:64:11: warning: ‘xsave’ may be used uninitialized [-Wmaybe-uninitialized] 64 | ex=xsave | ^ ../src/shiftlp.f90:25:49: note: ‘xsave’ was declared here 25 | real(wp) r0,r1,r2,exmin,eymin,ezmin,rmin,xsave,ysave,zsave,rmax | ^ ../src/shiftlp.f90:65:11: warning: ‘ysave’ may be used uninitialized [-Wmaybe-uninitialized] 65 | ey=ysave | ^ ../src/shiftlp.f90:25:55: note: ‘ysave’ was declared here 25 | real(wp) r0,r1,r2,exmin,eymin,ezmin,rmin,xsave,ysave,zsave,rmax | ^ ../src/shiftlp.f90:66:11: warning: ‘zsave’ may be used uninitialized [-Wmaybe-uninitialized] 66 | ez=zsave | ^ ../src/shiftlp.f90:25:61: note: ‘zsave’ was declared here 25 | real(wp) r0,r1,r2,exmin,eymin,ezmin,rmin,xsave,ysave,zsave,rmax | ^ [222/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_embedding.f90.o -c ../src/embedding.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/embedding.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/embedding.f90:269:17: 269 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/embedding.f90:66:30: 66 | subroutine read_pcem(iunit,env,pcem,jData) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] [223/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_single.f90.o -c ../src/single.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/single.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/single.f90:43:50: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/single.f90:43:16: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/single.f90:43:46: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘lgrad’ at (1) [-Wunused-dummy-argument] ../src/single.f90:43:24: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/single.f90:48:24: 48 | type(tb_pcem) :: pcem | 1 Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable] [224/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_slater.f90.o -c ../src/slater.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/slater.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [225/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_metadynamic.f90.o -c ../src/metadynamic.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/metadynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/metadynamic.f90:195:41: 195 | subroutine set_metadynamic(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:113:39: 113 | subroutine load_rmsdbias(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:113:43: 113 | subroutine load_rmsdbias(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:91:46: 91 | subroutine load_metadynamic(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:21:37: 21 | subroutine metadynamic(metavar,nat,at,xyz,ebias,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:36:18: 36 | integer :: i,j,k,iref,iat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/metadynamic.f90:36:20: 36 | integer :: i,j,k,iref,iat | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/metadynamic.f90: In function ‘__xtb_metadynamic_MOD_load_rmsdbias’: ../src/metadynamic.f90:141:46: warning: ‘unit’ may be used uninitialized [-Wmaybe-uninitialized] 141 | open(unit, file=metavar%fname, iostat=stat) | ^ ../src/metadynamic.f90:126:40: note: ‘unit’ declared here 126 | integer :: ii, nn, mm, cc, stat, unit | ^ [226/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_spline2.f90.o -c ../src/spline2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/spline2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [227/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gfnff_ini.f90.o -c ../src/gfnff/gfnff_ini.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_ini.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_ini.f90:397:24: 397 | rabd(k, i) = param%rad(mol%at(i)) + param%rad(mol%at(k)) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_ini.f90:56:33: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘aat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:29: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘atb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:101:29: 101 | character(len=255) atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:25: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘bat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:79:45: 79 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘cnij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:37: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘current’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:66:39: 66 | real(wp) shift,dum,dum1,dum2,dum4,qafac,fqq,feta | 1 Warning: Unused variable ‘dum4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:79:40: 79 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:37: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:17: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:21: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hbh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:79:19: 79 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘heavy’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:77: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘jdum’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:69: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘ka’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:25: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:50:33: 50 | integer ati,atj,atk,i,j,k,l,lin,nn,ii,jj,kk,ll,m,rings,ia,ja,ij,ix,nnn,idum,ip,ji,no | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:22: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘maxhb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:29: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘n13’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:48: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘nn1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:52: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘nn2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:72:24: 72 | real(wp) fkl,qreps,fbsmall,bohr | 1 Warning: Unused variable ‘qreps’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:44: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘ringtyp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:78:60: 78 | logical lring,picon,notpicon,bridge,sp3ij,ccij,success | 1 Warning: Unused variable ‘success’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:71:21: 71 | real(wp) xx(20) | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90: In function ‘__xtb_gfnff_ini_MOD_gfnff_ini’: ../src/gfnff/gfnff_ini.f90:541:41: warning: ‘ifrag’ may be used uninitialized [-Wmaybe-uninitialized] 541 | dum2=topo%qfrag(ifrag) ! save | ^ ../src/gfnff/gfnff_ini.f90:55:51: note: ‘ifrag’ was declared here 55 | integer qloop_count,nf,nsi,nmet,nhi,nhj,ifrag | ^ [228/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_spline3.f90.o -c ../src/spline3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/spline3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/spline3.f90:151:27: 151 | integer ( kind = 4 ) info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] [229/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gfnff_setup.f90.o -c ../src/gfnff/gfnff_setup.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_setup.f90:49:26: 49 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] [230/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_splitparam.f90.o -c ../src/splitparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/splitparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/splitparam.f90:94:25: 94 | subroutine cmafrag(nat,at,xyz,r1,r2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/splitparam.f90:67:18: 67 | real(wp) :: r,f,rco | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/splitparam.f90:66:20: 66 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [231/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_surfac.f.o -c ../src/surfac.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/surfac.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/surfac.f:30:51: 30 | real(wp) :: point(3),rx,ry,rz,r,r2,rsas | 1 Warning: Unused variable ‘point’ declared at (1) [-Wunused-variable] ../src/surfac.f:30:62: 30 | real(wp) :: point(3),rx,ry,rz,r,r2,rsas | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] [232/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_basisset.f90.o -c ../src/xtb/basisset.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/basisset.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/basisset.f90:322:12: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:322:14: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:322:16: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:322:18: 322 | integer i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:40:19: 40 | integer :: elem,valao | 1 Warning: Unused variable ‘elem’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:16: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:34: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:37: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘k2’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:78: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘npqr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:47: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘pp’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:82: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘pqn’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:61: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘qi’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:44: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘split1’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:58: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘zcnfr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:52: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘zqfr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:407:25: 407 | subroutine set_s_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao) | ^ Warning: ‘set_s_function’ defined but not used [-Wunused-function] ../src/xtb/basisset.f90:450:25: 450 | subroutine set_p_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao) | ^ Warning: ‘set_p_function’ defined but not used [-Wunused-function] [233/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_axis_trafo.f90.o -c ../src/axis_trafo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/axis_trafo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/axis_trafo.f90:369:5: 369 | 80 evec(j,1)=-evec(j,1) | 1 Warning: Label 80 at (1) defined but not used [-Wunused-label] ../src/axis_trafo.f90:305:34: 305 | subroutine axis3(mode,numat,nat,coord,coordout,eig) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:206:30: 206 | subroutine axisvec(numat,nat,xyz,aa,bb,cc,evec) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:115:28: 115 | subroutine axis2(numat,nat,xyz,aa,bb,cc,avmom,sumw) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:21:27: 21 | subroutine axis(numat,nat,xyz,aa,bb,cc) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] [234/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_read_gfn_param.f90.o -c ../src/read_gfn_param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/read_gfn_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/read_gfn_param.f90:30:44: 30 | (env, iunit,globpar,xtbData,initialize) | 1 Warning: Unused dummy argument ‘initialize’ at (1) [-Wunused-dummy-argument] [235/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_geosum.f90.o -c ../src/geosum.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/geosum.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/geosum.f90:34:22: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:16: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:28: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:35:26: 35 | integer nt,a,b,ia,ib,ja,jb,ii,jj,lin,linij | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:26: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:34: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1 Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:13: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘nm’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:20: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘xxx’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:24: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘yyy’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:28: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘zzz’ declared at (1) [-Wunused-variable] [236/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_main_geometry.f90.o -c ../src/main/geometry.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/main/geometry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/main/geometry.f90:131:16: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:132:18: 132 | integer :: iat,jat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:133:19: 133 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:133:24: 133 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:18: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:132:22: 132 | integer :: iat,jat | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:20: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:22: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:24: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:149:25: 149 | real(wp) :: moments(3) | 1 Warning: Unused variable ‘moments’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:323:18: 323 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:323:23: 323 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:462:29: 462 | subroutine calc_torsions(n,at,xyz,bond,maxtrsn,ntrsn,trsn,it) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/geometry.f90:290:18: 290 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:290:23: 290 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:419:27: 419 | subroutine calc_angles(n,at,xyz,bond,maxbend,nbend,bend,ib) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [237/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_intmodes.f90.o -c ../src/intmodes.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/intmodes.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intmodes.f90:897:26: 897 | pure subroutine cma(nat,at,xyz,sum3) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:275:18: 275 | integer :: i,j,k,m,nm,ntot,mm | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:275:33: 275 | integer :: i,j,k,m,nm,ntot,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:264:33: 264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,& | 1 Warning: Unused dummy argument ‘molvec’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:264:40: 264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,& | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:276:16: 276 | real(wp) :: r,sum3(3),one | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:106:21: 106 | subroutine bzmat(n,at,xyzin,bmat) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:117:23: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:29: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:26: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:37:28: 37 | integer k,j,kl,l,lend,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:36:16: 36 | real(wp) norm | 1 Warning: Unused variable ‘norm’ declared at (1) [-Wunused-variable] [238/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_scc_core.f90.o -c ../src/scc_core.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/scc_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scc_core.f90:801:8: 801 | H4 = H | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/scc_core.f90:802:8: 802 | S4 = S | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/scc_core.f90:1418:23: 1418 | real(wp) ntot,fracz | 1 Warning: Unused variable ‘fracz’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1406:59: 1406 | subroutine setzshell(xtbData,n,at,nshell,z,zsh,e,gfn_method) | 1 Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1419:41: 1419 | integer i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1419:14: 1419 | integer i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1419:36: 1419 | integer i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1372:59: 1372 | subroutine iniqshell(xtbData,n,at,z,nshell,q,qsh,gfn_method) | 1 Warning: Unused dummy argument ‘gfn_method’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1383:45: 1383 | integer :: i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘iver’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1383:18: 1383 | integer :: i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1383:40: 1383 | integer :: i,j,k,m,l,ll(0:3),iat,lll,iver | 1 Warning: Unused variable ‘lll’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1353:17: 1353 | integer i,j,ii,jj,js,mmm(20) | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1311:23: 1311 | integer i,j,ii,jj,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1305:19: 1305 | subroutine mpopsh(n,nao,nshell,ao2sh,S,P,qsh) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1279:23: 1279 | integer i,j,ii,jj,ij,is,js,mmm(20) | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1249:19: 1249 | subroutine mpopao(n,nao,S,P,qao) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1230:23: 1230 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1230:26: 1230 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1230:29: 1230 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1201:23: 1201 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1201:26: 1201 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1201:29: 1201 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1159:31: 1159 | subroutine get_wiberg(n,ndim,at,xyz,P,S,wb,fila2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:970:31: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:34: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:24: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:28: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:26: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:874:36: 874 | subroutine solve(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:886:12: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:42: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:14: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:46: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:39: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:20: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:23: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:14: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:17: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:772:37: 772 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:787:35: 787 | real(wp),allocatable :: aux (:) | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:12: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:772:33: 772 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:785:42: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:14: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:46: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:39: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:20: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:23: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:14: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:17: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:729:31: 729 | pure subroutine setespot(nshell, qsh, jmat, shellShift) | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:704:21: 704 | real(wp) :: rab,k1,rr,r,rf1,rf2,dx,dy,dz,a | 1 Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:655:28: 655 | pure subroutine electro(n,at,nbf,nshell,ies,H0,P,dq,dqsh,es,scc) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:668:18: 668 | real(wp) :: ehb ! not used | 1 Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:671:18: 671 | real(wp) :: h,t | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:22: 368 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:18: 368 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:19: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:366:21: 366 | integer :: ishell,jshell | 1 Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:24: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:366:28: 366 | integer :: ishell,jshell | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:29: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:31: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:33: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:241:23: 241 | & minpr,pr, & | 1 Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:231:33: 231 | & q,dipm,qp,qq,qlmom,qsh,zsh, & | 1 Warning: Unused dummy argument ‘qlmom’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:367:17: 367 | real(wp) :: t8,t9 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:20: 367 | real(wp) :: t8,t9 | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:26: 368 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:239:35: 239 | & H0,H,S,dpint,qpint,X,P,ies, & | 1 Warning: Unused dummy argument ‘x’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:229:26: 229 | subroutine scc(env,xtbData,solver,n,nel,nopen,ndim,ndp,nqp,nmat,nshell, & | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:151:61: 151 | H,S,dpint,qpint,vs,vd,vq,aoat2,ao2sh) | 1 Warning: Unused dummy argument ‘ao2sh’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:150:32: 150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:176:21: 176 | integer :: ishell,jshell | 1 Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:176:28: 176 | integer :: ishell,jshell | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:175:23: 175 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:150:44: 150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,& | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:177:25: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:177:28: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:177:32: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:111:32: 111 | & H0, S, shellShift, aoat2, ao2sh) | 1 Warning: Unused dummy argument ‘aoat2’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:110:33: 110 | subroutine buildIsotropicH1(n, at, ndim, nshell, nmat, matlist, H, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:129:18: 129 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:17: 128 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:20: 128 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:23: 128 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:21: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:24: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:28: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:729:24: 729 | pure subroutine setespot(nshell, qsh, jmat, shellShift) | ^ Warning: ‘setespot’ defined but not used [-Wunused-function] [239/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_gfnff_qm.f90.o -c ../src/gfnff/gfnff_qm.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/gfnff_qm.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_qm.f90:22:26: 22 | subroutine gfnffqmsolve(pr,A,S,ovlp,et,ndim,nopen,nel,eel,focc,e) | 1 Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] [240/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_pocketscan.f90.o -c ../src/pocketscan.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/pocketscan.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pocketscan.f90:120:30: 120 | subroutine pocketrotation(n,at,xyz,cma,trfm,ifrag,npath,xyzpath) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/pocketscan.f90:243:16: 243 | integer i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90:234:30: 234 | subroutine ifaceaxis(numat,nat,coord,cma1,trfm1,cma2,trfm2) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/pocketscan.f90:32:20: 32 | character*2 dummy | 1 Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90:28:22: 28 | integer n,at(n),i,j,k,ios,ierr,npath,nout | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90: In function ‘pocketrotation_’: ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.offset’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[0].lbound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[0].ubound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[1].lbound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[1].ubound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ [241/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_grad_core.f90.o -c ../src/grad_core.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/grad_core.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/grad_core.f90:33:41: 33 | integer, private, parameter :: mmm(20)=(/1,2,2,2,3,3,3,3,3,3,4,4,4,4,4,4,4,4,4,4/) | 1 Warning: Unused PRIVATE module variable ‘mmm’ declared at (1) [-Wunused-value] ../src/grad_core.f90:47:35: 47 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:47:39: 47 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘rf1’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:47:43: 47 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘rf2’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:42: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:46: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t11’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:54: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t13’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:34: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:50: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t35’ declared at (1) [-Wunused-variable] [242/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_sphereparam.f90.o -c ../src/sphereparam.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/sphereparam.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/sphereparam.f90:655:24: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:655:35: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:655:38: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:606:24: 606 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1 | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:606:38: 606 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1 | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:512:39: 512 | subroutine polynomial_cavity_all(nat,at,xyz,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:478:40: 478 | subroutine polynomial_cavity_frag(nat,at,xyz,fragment,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:444:40: 444 | subroutine polynomial_cavity_list(nat,at,xyz,nlist,list,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:410:37: 410 | subroutine logfermi_cavity_all(nat,at,xyz,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:374:38: 374 | subroutine logfermi_cavity_frag(nat,at,xyz,fragment,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:338:38: 338 | subroutine logfermi_cavity_list(nat,at,xyz,nlist,list,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:154:28: 154 | subroutine getsphererad(n,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:160:21: 160 | real(wp) :: dum(3),rx,ry,rz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:22: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:16: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:18: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:20: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable] [243/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_constr.f90.o -c ../src/constr.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/constr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constr.f90:174:13: 174 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/constr.f90:174:60: 174 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/constr.f90:173:66: 173 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constr.f90:495:42: 495 | & sinphi,cosphi,onenner,thab,thbc,& | 1 Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/constr.f90:495:47: 495 | & sinphi,cosphi,onenner,thab,thbc,& | 1 Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:500:52: 500 | & xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1 Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] ../src/constr.f90:653:15: 653 | & rab,rbc,thab,thbc,valijk,& | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/constr.f90:653:19: 653 | & rab,rbc,thab,thbc,valijk,& | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:654:31: 654 | & vecnorm,nan,nbn,rcn,snanb,deter,pi,test,& | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:26: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:29: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:23: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable] ../src/constr.f90:777:27: 777 | & vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/constr.f90:777:32: 777 | & vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] [244/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_hessian.F90.o -c ../src/hessian.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/hessian.F90:515:43: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/hessian.F90:515:45: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/hessian.F90:489:11: 489 | & env,mol,hbias) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:515:19: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/hessian.F90:515:21: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/hessian.F90:515:23: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/hessian.F90:76:24: 76 | type(TRestart) :: chk | 1 Warning: Unused variable ‘chk’ declared at (1) [-Wunused-variable] ../src/hessian.F90:80:43: 80 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1 Warning: Unused variable ‘dipole’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:46: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:42: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘dumi’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:19: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘dumj’ declared at (1) [-Wunused-variable] ../src/hessian.F90:67:20: 67 | real(wp) :: ebias | 1 Warning: Unused variable ‘ebias’ declared at (1) [-Wunused-variable] ../src/hessian.F90:66:18: 66 | real(wp) :: eel | 1 Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable] ../src/hessian.F90:113:17: 113 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:15: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:33:28: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘etot’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:111:16: 111 | logical :: ex,rd | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/hessian.F90:114:46: 114 | character(len=:),allocatable :: hname,fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:31: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘gr’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:79:59: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:54: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘hof’ declared at (1) [-Wunused-variable] ../src/hessian.F90:112:17: 112 | integer :: ich ! file handle | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/hessian.F90:83:33: 83 | integer :: nread,kend,lowmode | 1 Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:23: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:89:20: 89 | !$ integer :: nproc | 1 Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable] ../src/hessian.F90:83:20: 83 | integer :: nread,kend,lowmode | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/hessian.F90:82:59: 82 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj | 1 Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:21: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/hessian.F90:82:62: 82 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj | 1 Warning: Unused variable ‘rj’ declared at (1) [-Wunused-variable] ../src/hessian.F90:77:33: 77 | type(scc_results) :: sccr,sccl | 1 Warning: Unused variable ‘sccl’ declared at (1) [-Wunused-variable] ../src/hessian.F90:81:31: 81 | real(wp) :: trpol(3),sl(3,3) | 1 Warning: Unused variable ‘sl’ declared at (1) [-Wunused-variable] ../src/hessian.F90:80:19: 80 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1 Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:37: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:34: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:109:26: 109 | type(TMolecule) :: tmol | 1 Warning: Unused variable ‘tmol’ declared at (1) [-Wunused-variable] ../src/hessian.F90:81:23: 81 | real(wp) :: trpol(3),sl(3,3) | 1 Warning: Unused variable ‘trpol’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:26: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:29: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:31: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘zpve’ declared at (1) [-Wunused-variable] ../src/hessian.F90: In function ‘__xtb_hessian_MOD_distort’: ../src/hessian.F90:621:17: warning: ‘xyz2.offset’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[0].lbound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[0].ubound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[1].lbound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[1].ubound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ [245/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_extern_mopac.f90.o -c ../src/extern/mopac.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/extern/mopac.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/mopac.f90:361:36: 361 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:361:25: 361 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:270:42: 270 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:297:19: 297 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:301:19: 301 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:298:25: 298 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:270:63: 270 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:202:27: 202 | real(wp) :: dum(10),edum | 1 Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:65:15: 65 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [246/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_dynamic.f90.o -c ../src/dynamic.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/dynamic.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dynamic.f90:879:0: 879 | integer function irand(n) | Warning: ‘irand’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] ../src/dynamic.f90:789:3: 789 | 20 call ekinet(n,velo,mass,edum) | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/dynamic.f90:883:9: 883 | irand=n*x | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:247:10: 247 | cdump0=set%dump_md/set%tstep_md ! scoord | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:248:12: 248 | dumpstep=set%dump_md2/set%tstep_md ! xyz | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:271:8: 271 | nmax=tmax*1000/tstep0 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:272:24: 272 | if(gmd.or.equi) nmax=maxtime*1000/tstep0 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:881:14: 881 | real x,ranf | 1 Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:846:35: 846 | integer, allocatable :: iseed(:) | 1 Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:845:14: 845 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:842:14: 842 | real x,ranf | 1 Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:819:40: 819 | character(len=:),allocatable :: fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:771:23: 771 | integer iat(n),nh,i,j | 1 Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:716:26: 716 | subroutine blocksd(n,nbl,ebl,tbl,esd,tsd) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/dynamic.f90:180:38: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘b0’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:32: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘be’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:177:47: 177 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2 | 1 Warning: Unused variable ‘cma’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:177:40: 177 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt,dum2 | 1 Warning: Unused variable ‘dav’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:49: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:178:18: 178 | real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:175:24: 175 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1 Warning: Unused variable ‘eel1’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:181:17: 181 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:201:19: 201 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:199:40: 199 | character(len=:),allocatable :: fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:28: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:58: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ibin’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:22: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:34: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:31: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:25: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:37: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:181:59: 181 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:183:42: 183 | integer :: i,j,k,ic,jc,ia,ja,ii,jj,ndum,cdump,nmax,ibin | 1 Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:175:19: 175 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:192:36: 192 | real(wp),allocatable :: tmpx(:,:) | 1 Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:42: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘tor’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:178:37: 178 | real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/dynamic.f90: In function ‘__xtb_dynamic_MOD_md’: ../src/dynamic.f90:617:15: warning: ‘intgeo.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] 617 | if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes | ^ ../src/dynamic.f90:195:38: note: ‘intgeo.dim[1].stride’ was declared here 195 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^ ../src/dynamic.f90:617:15: warning: ‘intgeo.offset’ may be used uninitialized [-Wmaybe-uninitialized] 617 | if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes | ^ ../src/dynamic.f90:195:38: note: ‘intgeo.offset’ was declared here 195 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^ ../src/dynamic.f90:633:45: warning: ‘intgeoav.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 633 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:196:40: note: ‘intgeoav.dim[0].ubound’ was declared here 196 | real(wp),allocatable :: intgeoav(:,:),tmpg(:,:) | ^ ../src/dynamic.f90:633:45: warning: ‘intgeoav.dim[1].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 633 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:196:40: note: ‘intgeoav.dim[1].ubound’ was declared here 196 | real(wp),allocatable :: intgeoav(:,:),tmpg(:,:) | ^ ../src/dynamic.f90:633:45: warning: ‘intgeo.dim[1].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 633 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:195:38: note: ‘intgeo.dim[1].lbound’ was declared here 195 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^ ../src/dynamic.f90:633:45: warning: ‘intgeo.dim[0].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 633 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:195:38: note: ‘intgeo.dim[0].lbound’ was declared here 195 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^ [247/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_extern_orca.f90.o -c ../src/extern/orca.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/extern/orca.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/orca.f90:543:31: 543 | pure function to_hex(val, width) result(string) | 1 Warning: Unused dummy argument ‘width’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:507:36: 507 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:438:40: 438 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘chk0’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:457:17: 457 | integer :: i,j,err | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:460:39: 460 | character(len=:),allocatable :: line | 1 Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:438:46: 438 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘list’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:438:52: 438 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘step’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:346:42: 346 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:373:19: 373 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:377:19: 377 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:374:25: 374 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:346:63: 346 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:296:17: 296 | integer :: i,j,err | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:299:39: 299 | character(len=:),allocatable :: line | 1 Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:67:28: 67 | character(len=5) :: chdum | 1 Warning: Unused variable ‘chdum’ declared at (1) [-Wunused-variable] [248/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_extern_turbomole.f90.o -c ../src/extern/turbomole.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/extern/turbomole.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/turbomole.f90:385:40: 385 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘chk0’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:385:46: 385 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘list’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:385:23: 385 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:385:52: 385 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘step’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:370:36: 370 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:370:25: 370 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:302:32: 302 | real(wp) g(3,n), e, xx(10), x, y, z, xyz(3,n) | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:302:35: 302 | real(wp) g(3,n), e, xx(10), x, y, z, xyz(3,n) | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:302:38: 302 | real(wp) g(3,n), e, xx(10), x, y, z, xyz(3,n) | 1 Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:180:26: 180 | character(len=255) atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:166:88: 166 | subroutine external_turbomole(env,n,at,xyz,nel,nopen,extcode,extmode,grd,eel,g,dip,lsolv) | 1 Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:166:46: 166 | subroutine external_turbomole(env,n,at,xyz,nel,nopen,extcode,extmode,grd,eel,g,dip,lsolv) | 1 Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:166:52: 166 | subroutine external_turbomole(env,n,at,xyz,nel,nopen,extcode,extmode,grd,eel,g,dip,lsolv) | 1 Warning: Unused dummy argument ‘nopen’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:101:19: 101 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:105:19: 105 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:102:25: 102 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:74:63: 74 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90: In function ‘__xtb_extern_turbomole_MOD_rdtm’: ../src/extern/turbomole.f90:331:6: warning: ‘nl’ may be used uninitialized [-Wmaybe-uninitialized] 331 | if(nl.lt.2)then | ^ ../src/extern/turbomole.f90:300:26: note: ‘nl’ was declared here 300 | integer n, iunit, i, nl, j, nn | ^ [249/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_calculator.f90.o -c ../src/gfnff/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/calculator.f90:296:36: 296 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:272:52: 272 | subroutine print_gfnff_results(iunit,res_gff,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:181:19: 181 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:179:25: 179 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:138:63: 138 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:92:26: 92 | logical :: exist, okbas | 1 Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] [250/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_extern_driver.f90.o -c ../src/extern/driver.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/extern/driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/driver.f90:185:38: 185 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:185:27: 185 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:69:44: 69 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:96:21: 96 | integer :: i, ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/driver.f90:97:26: 97 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/driver.f90:69:65: 69 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:57:42: 57 | subroutine newDriverCalculator(self, env, ext) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90: In function ‘__xtb_extern_driver_MOD_singlepoint’: ../src/extern/driver.f90:123:13: warning: ‘cache’ may be used uninitialized [-Wmaybe-uninitialized] 123 | if (.not. cache) then | ^ ../src/extern/driver.f90:100:20: note: ‘cache’ was declared here 100 | logical :: cache, exist | ^ [251/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_hamiltonian.f90.o -c ../src/xtb/hamiltonian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/hamiltonian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/hamiltonian.f90:612:49: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:61: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:35: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:43: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:14: 613 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:17: 613 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:14: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:38: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:41: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:35: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:44: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:18: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:29: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:20: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:47: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:50: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:32: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:566:16: 566 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:566:21: 566 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:614:47: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:57: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:48: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:18: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:21: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:37: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:44: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:25: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:34: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:43: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:30: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:57: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:53: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:48: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:15: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:22: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:31: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:37: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:43: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:27: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:30: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:33: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:36: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:16: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:21: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:26: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:24: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:49: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:61: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:35: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:43: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:413:14: 413 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:413:17: 413 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:53: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:14: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:38: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:41: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:35: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:44: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:18: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:29: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:20: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:47: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:50: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:32: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:368:75: 368 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:368:80: 368 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:414:47: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:57: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:48: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:18: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:21: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:37: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:44: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:414:25: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:414:34: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:414:43: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:30: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:57: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:53: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:48: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:15: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:22: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:31: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:37: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:43: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:27: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:30: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:33: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:36: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:16: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:21: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:26: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:24: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:49: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:52: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:190:19: 190 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:14: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:17: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:20: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:43: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:189:27: 189 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:189:30: 189 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:14: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:38: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:41: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:35: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:44: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:18: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:29: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:20: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:47: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:50: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:32: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:146:50: 146 | subroutine build_SDQH0(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:190:27: 190 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:18: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:21: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:34: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:30: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:25: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:15: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:36: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:42: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:27: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:30: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:33: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:36: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:41: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:26: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:31: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:24: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90: In function ‘__xtb_xtb_hamiltonian_MOD_build_dsdqh0_noreset._omp_fn.0’: ../src/xtb/hamiltonian.f90:712:64: warning: ‘stmp’ may be used uninitialized [-Wmaybe-uninitialized] 712 | g_xyz(ixyz) = g_xyz(ixyz)+stmp+dtmp+qtmp | ^ ../src/xtb/hamiltonian.f90:614:16: note: ‘stmp’ was declared here 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | ^ [252/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_constrain_param.f90.o -c ../src/constrain_param.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/constrain_param.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constrain_param.f90:1494:19: 1494 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1492:18: 1492 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1493:19: 1493 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1495:19: 1495 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1448:40: 1448 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1460:19: 1460 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1463:16: 1463 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1448:46: 1448 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1463:18: 1463 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1461:19: 1461 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1462:24: 1462 | integer :: list(nat),nlist | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1462:30: 1462 | integer :: list(nat),nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1448:50: 1448 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1351:20: 1351 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1333:51: 1333 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1286:38: 1286 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1302:19: 1302 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1306:16: 1306 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1286:44: 1286 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1306:18: 1306 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1303:19: 1303 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1304:20: 1304 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1286:48: 1286 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1239:41: 1239 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1255:19: 1255 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1259:16: 1259 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1239:47: 1239 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1259:18: 1259 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1256:19: 1256 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1257:20: 1257 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1239:51: 1239 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1168:19: 1168 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1170:34: 1170 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1154:48: 1154 | subroutine set_hess(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1076:39: 1076 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1089:19: 1089 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1076:45: 1076 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1090:19: 1090 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1076:49: 1076 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:952:29: 952 | real(wp) :: ddum,darray(3) | 1 Warning: Unused variable ‘darray’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:938:44: 938 | subroutine set_wall(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:953:19: 953 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:849:19: 849 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:404:20: 404 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:289:19: 289 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:284:16: 284 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:287:20: 287 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:268:47: 268 | subroutine set_fix(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:121:19: 121 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:116:15: 116 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:118:16: 118 | integer :: ic | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:119:16: 119 | integer :: ie | 1 Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:112:38: 112 | character(len=:),allocatable :: key | 1 Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:114:42: 114 | character(len=:),allocatable :: newname | 1 Warning: Unused variable ‘newname’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:113:38: 113 | character(len=:),allocatable :: val | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] [253/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_stm.f.o -c ../src/stm.f f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/stm.f: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/stm.f:226:46: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/stm.f:226:38: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/stm.f:226:42: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable] ../src/stm.f:207:42: 207 | subroutine densints(n,nbf,xyz,intcut,point,pthr,P, | 1 Warning: Unused dummy argument ‘intcut’ at (1) [-Wunused-dummy-argument] ../src/stm.f:224:21: 224 | integer i,j,k,l,iprimcount,jprimcount,ppp | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/stm.f:225:45: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/stm.f:225:48: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/stm.f:225:40: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/stm.f:225:42: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/stm.f:225:51: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/stm.f:225:54: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/stm.f:227:26: 227 | real(wp) tt1,ttt,thr,cce,pthr2 | 1 Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] ../src/stm.f:25:36: 25 | subroutine stmpic(n,nmo,nbf,at,xyz,C,efermi,emo,basis) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/stm.f:40:61: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/stm.f:46:28: 46 | integer i,j,k,l,m,done,mprim,npp,ind1,ind2,np,m1,m2,m3 | 1 Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable] ../src/stm.f:40:26: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘rx’ declared at (1) [-Wunused-variable] ../src/stm.f:40:29: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘ry’ declared at (1) [-Wunused-variable] ../src/stm.f:40:32: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘rz’ declared at (1) [-Wunused-variable] ../src/stm.f:40:44: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/stm.f:40:47: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/stm.f:40:50: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/stm.f:40:53: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] [254/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_local.f90.o -c ../src/local.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/local.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/local.f90:291:19: 291 | rklmo(1:3,i)=ecent(i,1:3) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/local.f90:292:19: 292 | rklmo( 4,i)=ecent(i, 4) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/local.f90:293:19: 293 | rklmo( 5,i)=real(jdum) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/local.f90:454:28: 454 | rklmo(1:3,n+k)= dtot(1:3) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/local.f90:469:28: 469 | rklmo(1:3,n+k)= dtot(1:3) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/local.f90:807:12: 807 | integer i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/local.f90:807:14: 807 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/local.f90:68:29: 68 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/local.f90:69:28: 69 | character(len=80) :: atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/local.f90:68:32: 68 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable] ../src/local.f90:68:35: 68 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/local.f90:66:25: 66 | real(wp) :: dd,dum,det,pp,dtot(3),diptot,thr,t0,w0,t1,w1,vec1(3),v(6) | 1 Warning: Unused variable ‘det’ declared at (1) [-Wunused-variable] ../src/local.f90:20:72: 20 | subroutine local(nat,at,nbf,nao,ihomo,xyz,z,focc,s,p,cmo,eig,q,etot,gbsa,basis) | 1 Warning: Unused dummy argument ‘gbsa’ at (1) [-Wunused-dummy-argument] ../src/local.f90:62:47: 62 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/local.f90:62:29: 62 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1 Warning: Unused variable ‘imo1’ declared at (1) [-Wunused-variable] ../src/local.f90:62:34: 62 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1 Warning: Unused variable ‘imo2’ declared at (1) [-Wunused-variable] ../src/local.f90:57:33: 57 | integer, allocatable :: ind(:) | 1 Warning: Unused variable ‘ind’ declared at (1) [-Wunused-variable] ../src/local.f90:73:34: 73 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/local.f90:61:46: 61 | integer mo,n,i,j,k,ii,jj,imem(nat),idum,isc,iso,nop,pilist(ihomo) | 1 Warning: Unused variable ‘isc’ declared at (1) [-Wunused-variable] ../src/local.f90:61:50: 61 | integer mo,n,i,j,k,ii,jj,imem(nat),idum,isc,iso,nop,pilist(ihomo) | 1 Warning: Unused variable ‘iso’ declared at (1) [-Wunused-variable] ../src/local.f90:62:39: 62 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1 Warning: Unused variable ‘iso1’ declared at (1) [-Wunused-variable] ../src/local.f90:62:44: 62 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1 Warning: Unused variable ‘iso2’ declared at (1) [-Wunused-variable] ../src/local.f90:73:22: 73 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/local.f90:62:17: 62 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1 Warning: Unused variable ‘lamdu1’ declared at (1) [-Wunused-variable] ../src/local.f90:62:24: 62 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1 Warning: Unused variable ‘lamdu2’ declared at (1) [-Wunused-variable] ../src/local.f90:73:29: 73 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/local.f90:73:16: 73 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/local.f90:64:43: 64 | integer i1,i2,i3,is3,ipi,piset(nat),ncyc,j1,j2,smo,pmo,nl,nm,nr | 1 Warning: Unused variable ‘ncyc’ declared at (1) [-Wunused-variable] ../src/local.f90:41:36: 41 | real(wp),allocatable :: oc(:,:,:) | 1 Warning: Unused variable ‘oc’ declared at (1) [-Wunused-variable] ../src/local.f90:68:26: 68 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘praxis’ declared at (1) [-Wunused-variable] ../src/local.f90:44:36: 44 | real(wp),allocatable :: qua (:,:) | 1 Warning: Unused variable ‘qua’ declared at (1) [-Wunused-variable] ../src/local.f90:67:51: 67 | real(wp) :: elumo,ehomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3) | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/local.f90:67:54: 67 | real(wp) :: elumo,ehomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3) | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/local.f90:53:32: 53 | real(wp),allocatable :: rr(:) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/local.f90:66:72: 66 | real(wp) :: dd,dum,det,pp,dtot(3),diptot,thr,t0,w0,t1,w1,vec1(3),v(6) | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/local.f90:55:38: 55 | real(wp),allocatable :: xyztmp(:,:) | 1 Warning: Unused variable ‘xyztmp’ declared at (1) [-Wunused-variable] [255/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_thermo.f90.o -c ../src/thermo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/thermo.f90:254:72: 254 | subroutine oldthermo(a,b,c,avmom,linear,atom,sym,molmass,vibs,nvibs,escf, & | 1 Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument] ../src/thermo.f90:304:43: 304 | real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot | 1 Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:26: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/thermo.f90:80:36: 80 | & vibs,nvibs,escf,T,sthr_rcm,et,ht,g,ts,zp,pr) | 1 Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument] ../src/thermo.f90:116:43: 116 | real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot | 1 Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable] ../src/thermo.f90:120:24: 120 | real(wp) :: wofrot,RT | 1 Warning: Unused variable ‘rt’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:37: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘xmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:32: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:35:37: 35 | integer,allocatable :: ictdum(:,:) | 1 Warning: Unused variable ‘ictdum’ declared at (1) [-Wunused-variable] [256/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_hamiltonian_gpu.f90.o -c ../src/xtb/hamiltonian_gpu.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/hamiltonian_gpu.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/hamiltonian_gpu.f90:1191:20: 1191 | integer ii,jj,m,n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:1090:20: 1090 | integer ii,jj,m,n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:62: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:49: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:61: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:35: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:43: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:816:14: 816 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:816:17: 816 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:53: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:14: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:38: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:41: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:35: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:44: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:29: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:20: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:47: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:50: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:32: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:771:79: 771 | subroutine build_dSDQH0_gpu(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:771:84: 771 | subroutine build_dSDQH0_gpu(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:817:47: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:57: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:48: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:18: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:21: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:37: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:44: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:817:25: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:817:34: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:817:43: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:30: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:57: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:53: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:48: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:15: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:22: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:31: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:37: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:43: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:27: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:30: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:33: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:36: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:816:26: 816 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:16: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:21: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:26: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:24: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:238:25: 238 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:241:19: 241 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:242:65: 242 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jshmax’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:237:18: 237 | integer i,j,k,l,m,ii,jj,ij,ioff,joff,kk | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:199:59: 199 | subroutine build_SDQH0_gpu(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:199:54: 199 | subroutine build_SDQH0_gpu(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:241:27: 241 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:238:16: 238 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:90:51: 90 | pure subroutine build_dsdq_ints_gpu(a,b,c,alpi,alpj,t,e,la,lb,v,g) | 1 Warning: Unused dummy argument ‘alpj’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:103:30: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:101:20: 101 | real(wp) :: gama,kab | 1 Warning: Unused variable ‘gama’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:33: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘gm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:101:24: 101 | real(wp) :: gama,kab | 1 Warning: Unused variable ‘kab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:26: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:19: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:1065:19: 1065 | subroutine dtrf_gpu(s,li,lj) | ^ Warning: ‘dtrf_gpu’ defined but not used [-Wunused-function] [257/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_timing.f90.o -c ../src/timing.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/timing.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [258/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_wrbas.f90.o -c ../src/wrbas.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/wrbas.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrbas.f90:18:56: 18 | subroutine write_tm_basis(iunit,xtbData,nat,at,basis,wfn) | 1 Warning: Unused dummy argument ‘wfn’ at (1) [-Wunused-dummy-argument] [259/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_set_module.f90.o -c ../src/set_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/set_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/set_module.f90:2409:19: 2409 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2407:18: 2407 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2408:19: 2408 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2410:19: 2410 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2390:24: 2390 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2390:28: 2390 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2390:32: 2390 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2325:18: 2325 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2328:19: 2328 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2301:19: 2301 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2299:18: 2299 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2300:19: 2300 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2302:19: 2302 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2239:18: 2239 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2251:23: 2251 | logical,save :: set8 = .true. | 1 Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2191:62: 2191 | character(len=p_str_length),dimension(p_arg_length) :: argv | 1 Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2184:18: 2184 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2189:16: 2189 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2190:19: 2190 | integer :: narg | 1 Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2143:18: 2143 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2144:19: 2144 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2121:18: 2121 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2122:19: 2122 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2124:19: 2124 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2077:19: 2077 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2075:18: 2075 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2076:19: 2076 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2078:19: 2078 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2086:23: 2086 | logical,save :: set8 = .true. | 1 Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2051:18: 2051 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2054:19: 2054 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2015:18: 2015 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2016:19: 2016 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2018:19: 2018 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1986:18: 1986 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1987:19: 1987 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1989:19: 1989 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1992:23: 1992 | logical,save :: set3 = .true. | 1 Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1942:18: 1942 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1945:19: 1945 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1869:18: 1869 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1835:18: 1835 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1838:19: 1838 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1807:18: 1807 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1808:19: 1808 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1810:19: 1810 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1754:18: 1754 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1655:18: 1655 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1600:18: 1600 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1603:19: 1603 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1418:18: 1418 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1370:18: 1370 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1373:19: 1373 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1319:18: 1319 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1250:19: 1250 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1248:18: 1248 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1107:19: 1107 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1105:18: 1105 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1106:19: 1106 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1084:18: 1084 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1064:18: 1064 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1046:18: 1046 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:731:19: 731 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:724:15: 724 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:726:16: 726 | integer :: ic | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/set_module.f90:727:16: 727 | integer :: ie | 1 Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/set_module.f90:720:38: 720 | character(len=:),allocatable :: key | 1 Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/set_module.f90:721:38: 721 | character(len=:),allocatable :: val | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/set_module.f90:688:19: 688 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:570:15: 570 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:460:15: 460 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:435:15: 435 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [260/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_topology.f90.o -c ../src/topology.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/topology.f90:137:17: 137 | integer :: iat, neigh | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] [261/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_wrgbw.f90.o -c ../src/wrgbw.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/wrgbw.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrgbw.f90:82:55: 82 | integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] [262/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_rdcoord2.f90.o -c ../src/rdcoord2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/rdcoord2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rdcoord2.f90:286:20: 286 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/rdcoord2.f90:281:40: 281 | character(len=:),allocatable :: wfile | 1 Warning: Unused variable ‘wfile’ declared at (1) [-Wunused-variable] ../src/rdcoord2.f90:41:18: 41 | integer :: j,k,ich,cs,cf,ncheck | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [263/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_wrmodef.f90.o -c ../src/wrmodef.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/wrmodef.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrmodef.f90:37:37: 37 | integer i,k,j,ik,kl,l,root,lend,b1,b2,n3 | 1 Warning: Unused variable ‘b1’ declared at (1) [-Wunused-variable] ../src/wrmodef.f90:37:40: 37 | integer i,k,j,ik,kl,l,root,lend,b1,b2,n3 | 1 Warning: Unused variable ‘b2’ declared at (1) [-Wunused-variable] ../src/wrmodef.f90:30:21: 30 | real(wp) :: norm,w | 1 Warning: Unused variable ‘w’ declared at (1) [-Wunused-variable] ../src/wrmodef.f90:18:37: 18 | subroutine wrmodef(typ,n,at,xyzin,wbo,rmass,freq,u,udum,vthr,linear) | 1 Warning: Unused dummy argument ‘wbo’ at (1) [-Wunused-dummy-argument] [264/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_wrmo.f90.o -c ../src/wrmo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/wrmo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrmo.f90:18:34: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/wrmo.f90:18:40: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1 Warning: Unused dummy argument ‘basis’ at (1) [-Wunused-dummy-argument] [265/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xhelp.f90.o -c ../src/xhelp.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xhelp.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [266/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_zmatpr.f90.o -c ../src/zmatpr.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/zmatpr.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/zmatpr.f90:29:17: 29 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] [267/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/symmetry_symmetry.f90.o -c ../symmetry/symmetry.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../symmetry/symmetry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [268/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_optimizer.f90.o -c ../src/optimizer.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/optimizer.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/optimizer.f90:509:20: 509 | parameter (r4dum=1.e-8) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘REAL(4)’ at (1) [-Wconversion] ../src/optimizer.f90:663:28: 663 | Aaug(1:npvar) = anc%hess | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:664:28: 664 | Aaug(npvar+1:npvar1-1) = gint | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:674:17: 674 | Uaug = Uaug/dsnrm | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:998:16: 998 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:779:19: 779 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:751:19: 751 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:501:33: 501 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘dnorm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:502:33: 502 | real(wp) :: depred,echng,dummy,maxd,alp,gchng,smallreal,gnold | 1 Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:455:31: 455 | & egap,acc_in,et,maxiter,iupdat,etot,g,sigma,ilog,pr,fail,converged, & | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/optimizer.f90:499:16: 499 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:499:52: 499 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:499:43: 499 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:499:27: 499 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:499:30: 499 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:501:21: 501 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:499:37: 499 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:499:46: 499 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:455:39: 455 | & egap,acc_in,et,maxiter,iupdat,etot,g,sigma,ilog,pr,fail,converged, & | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/optimizer.f90:500:49: 500 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:500:55: 500 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:500:52: 500 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:500:58: 500 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:501:48: 501 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘xdum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:158:26: 158 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘amu2au’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:158:32: 158 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘au2cm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:169:33: 169 | real(wp),allocatable :: aux(:) | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:166:34: 166 | real(wp),allocatable :: b (:,:) | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:158:47: 158 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:158:57: 158 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:145:18: 145 | real(wp) :: eel | 1 Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:159:45: 159 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:170:34: 170 | real(wp),allocatable :: hess(:) | 1 Warning: Unused variable ‘hess’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:38: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:32: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:44: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:52: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:161:53: 161 | integer :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii | 1 Warning: Unused variable ‘itry’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:171:35: 171 | integer, allocatable :: iwork(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:41: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:35: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:47: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:29: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jjj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:25: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:160:17: 160 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:161:30: 161 | integer :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:155:27: 155 | type(scc_results) :: res | 1 Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:159:56: 159 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:158:19: 158 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:159:62: 159 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:159:59: 159 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:172:36: 172 | integer, allocatable :: totsym(:) | 1 Warning: Unused variable ‘totsym’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:159:68: 159 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:159:65: 159 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] [269/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_scf_module.F90.o -c ../src/scf_module.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/scf_module.F90:65:36: 65 | integer, parameter :: metal(1:86) = [& | 1 Warning: Unused PRIVATE module variable ‘metal’ declared at (1) [-Wunused-value] ../src/scf_module.F90:183:37: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:203:29: 203 | character(len=128) :: atmp,ftmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:165:34: 165 | real(wp),allocatable :: aw(:,:) | 1 Warning: Unused variable ‘aw’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:166:36: 166 | real(wp),allocatable :: c6ab(:,:) | 1 Warning: Unused variable ‘c6ab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:122:24: 122 | type(TCosmo) :: cosmo | 1 Warning: Unused variable ‘cosmo’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:48: 186 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘drfdxyz’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:37: 186 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:43: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:46: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:49: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:18: 184 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘efa’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:22: 184 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘efb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:181:48: 181 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1 Warning: Unused variable ‘efix’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:182:23: 182 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:48: 185 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:182:32: 182 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘eold’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:20: 190 | real(wp) :: esave,eel | 1 Warning: Unused variable ‘esave’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:204:16: 204 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:43: 189 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘exc’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:53: 184 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:203:34: 203 | character(len=128) :: atmp,ftmp | 1 Warning: Unused variable ‘ftmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:204:34: 204 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘fulldiag’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:23: 188 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:26: 188 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘gj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:75:48: 75 | & egap, et, maxiter, prlevel, restart, grd, acc, energy, gradient, res) | 1 Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument] ../src/scf_module.F90:189:39: 189 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘gtmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:52: 185 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘h0s’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:19: 186 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘h0sr’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:31: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘hav’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:39: 184 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘hdii’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:44: 184 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘hdjj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:181:43: 181 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1 Warning: Unused variable ‘hlgap’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:57: 185 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘hmat’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:19: 200 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:22: 200 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:199:33: 199 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:197:17: 197 | integer :: ich ! file handle | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:204:50: 204 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘iniqsh’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:48: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘jmpol’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:19: 201 | integer :: is,js,gav | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:199:27: 199 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:56: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘kdampxb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:191:39: 191 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘kexpe’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:198:26: 198 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:198:58: 198 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:199:41: 199 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:16: 200 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:198:45: 198 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:198:61: 198 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:198:64: 198 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:164:20: 164 | real(wp) :: molc6,molc8,molpol | 1 Warning: Unused variable ‘molc6’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:164:26: 164 | real(wp) :: molc6,molc8,molpol | 1 Warning: Unused variable ‘molc8’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:199:39: 199 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘ndimv’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:28: 184 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘nfoda’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:34: 184 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘nfodb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:25: 200 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:199:30: 199 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘np’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:198:17: 198 | integer :: npr,ii,jj,kk,i,j,k,m,iat,jat,mi,jter,atj,kkk,mj,mm | 1 Warning: Unused variable ‘npr’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:58: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘r0i’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:62: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘r0j’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:182:42: 182 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:182:27: 182 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:62: 185 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:59: 186 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘rav’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:42: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘repab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:27: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:167:34: 167 | real(wp),allocatable :: rvol(:) | 1 Warning: Unused variable ‘rvol’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:128:35: 128 | real(wp),allocatable :: S12(:,:) | 1 Warning: Unused variable ‘s12’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:17: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:20: 183 | real(wp) :: t0,t1,sum,rr,hav,alpha,ep,dx,dy,dz,dum1,r0i,r0j | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:191:22: 191 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:191:25: 191 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘t7’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:63: 186 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘tab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:55: 186 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘tex’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:61: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘vvxb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:17: 189 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:20: 189 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:17: 188 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:17: 185 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:20: 185 | real(wp) :: x1,x2,ed,intcut,neglect,ga,gb,ehb,h0s,hmat,rab2 | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:21: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘xa’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:24: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘xb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:140:36: 140 | real(wp),allocatable :: Xcao(:,:) | 1 Warning: Unused variable ‘xcao’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:20: 188 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘xj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:182:19: 182 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:182:39: 182 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:27: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘ya’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:30: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘yb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:51: 186 | real(wp) :: h0sr,scfconv,rmsq,dum2,drfdxyz(3),yy,tex,rav,tab,ljexp | 1 Warning: Unused variable ‘yy’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:33: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘za’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:36: 187 | real(wp) :: ees,xa,xb,ya,yb,za,zb,repab,jmpol,kdampxb,vvxb,exb | 1 Warning: Unused variable ‘zb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:900:0: 900 | pure elemental function early3d(i) result(bool) | Warning: ‘early3d’ defined but not used [-Wunused-function] [270/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_main_property.F90.o -c ../src/main/property.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/main/property.F90:1190:27: 1190 | real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1190:25: 1190 | real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom | 1 Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/main/property.F90:994:25: 994 | logical linear,atom,da | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:36: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘fswitch’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:42: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘lnq_r’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:48: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘lnq_v’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:28: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘maxfreq’ declared at (1) [-Wunused-variable] ../src/main/property.F90:982:26: 982 | integer nn,nvib,i,j,k,n,nvib_theo,isthr | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/main/property.F90:982:13: 982 | integer nn,nvib,i,j,k,n,nvib_theo,isthr | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:20: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/main/property.F90:977:18: 977 | real(wp) xx(10),sthr,temp,scale_factor | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/main/property.F90:899:48: 899 | subroutine print_fod_population(iunit,ifile,n,at,sym,nao,S,C,etemp,emo,ihomoa, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:863:43: 863 | subroutine print_spin_population(iunit,n,at,sym,nao,focca,foccb,S,C,aoat2,lao2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:820:34: 820 | subroutine print_dipole(iunit,n,at,xyz,z,nao,P,dpint) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:677:18: 677 | integer :: i,j,k,nfrag | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.F90:677:20: 677 | integer :: i,j,k,nfrag | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.F90:678:19: 678 | real(wp) :: xsum | 1 Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/main/property.F90:427:28: 427 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/main/property.F90:427:19: 427 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] ../src/main/property.F90:427:24: 427 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/main/property.F90:421:41: 421 | character(len=:),allocatable :: hname | 1 Warning: Unused variable ‘hname’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:19: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:21: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:24: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:26: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:28: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/main/property.F90:428:22: 428 | integer :: lowmode | 1 Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/main/property.F90:294:18: 294 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/main/property.F90:293:18: 293 | real(wp) :: dip,dipol(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/main/property.F90:293:27: 293 | real(wp) :: dip,dipol(3) | 1 Warning: Unused variable ‘dipol’ declared at (1) [-Wunused-variable] ../src/main/property.F90:294:25: 294 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘intcut’ declared at (1) [-Wunused-variable] ../src/main/property.F90:292:19: 292 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable] ../src/main/property.F90:292:23: 292 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:294:33: 294 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘neglect’ declared at (1) [-Wunused-variable] ../src/main/property.F90:292:27: 292 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:254:33: 254 | (lverbose,mol,wfx,basis,res) | 1 Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:120:23: 120 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:120:27: 120 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:74:42: 74 | (iunit,env,mol,wfx,basis,xtbData,res,solvModel,acc) | 1 Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] [271/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_peeq_module.f90.o -c ../src/peeq_module.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/peeq_module.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/peeq_module.f90:1495:27: 1495 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1499:61: 1499 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1499:35: 1499 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1498:16: 1498 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1495:18: 1495 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1496:14: 1496 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1496:17: 1496 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:53: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1501:72: 1501 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1501:28: 1501 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:38: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:41: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:35: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:44: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:18: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:57: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:29: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:20: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:47: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:50: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1500:32: 1500 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1454:21: 1454 | & thr, nao, nbf, at, xyz, trans, P, Pew, g, sigma, dHdcn, dHdq) | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:1497:47: 1497 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1498:57: 1498 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1499:48: 1499 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1498:21: 1498 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:18: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:21: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1498:37: 1498 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1498:44: 1498 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1497:25: 1497 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1497:34: 1497 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1497:43: 1497 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1498:30: 1498 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:57: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:53: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:48: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:15: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1499:22: 1499 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:31: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:37: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:43: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:27: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:30: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:33: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:36: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1495:16: 1495 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:16: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:21: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1493:26: 1493 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1494:24: 1494 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1514:17: 1514 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1514:20: 1514 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1514:23: 1514 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1261:27: 1261 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1265:61: 1265 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1265:35: 1265 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1264:16: 1264 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1261:18: 1261 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1262:14: 1262 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1262:17: 1262 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3),rij2,t(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:53: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1267:72: 1267 | integer ip,jp,iat,jat,kat,ati,atj,ish,jsh,icao,jcao,iao,jao,ixyz,jxyz | 1 Warning: Unused variable ‘jxyz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:38: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:41: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:35: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:44: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:18: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:57: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:29: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:20: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:47: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:50: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1266:32: 1266 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,lin,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1219:21: 1219 | & thr, nao, nbf, at, xyz, lattice, P, Pew, g, sigma, dHdcn, dHdq, wsc) | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:1263:47: 1263 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1264:57: 1264 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1265:48: 1265 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1264:21: 1264 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:18: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:21: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1264:37: 1264 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1264:44: 1264 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1263:25: 1263 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1263:34: 1263 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1263:43: 1263 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1264:30: 1264 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:57: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:53: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:48: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:15: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1265:22: 1265 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:31: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:37: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:43: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:27: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:30: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:33: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:36: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1261:16: 1261 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:16: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:21: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1259:26: 1259 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1260:24: 1260 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:47: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1065:45: 1065 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1065:19: 1065 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1054:14: 1054 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1054:17: 1054 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1054:20: 1054 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:38: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1063:27: 1063 | real(wp) ri(3),rj(3),f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1063:30: 1063 | real(wp) ri(3),rj(3),f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1071:14: 1071 | integer kat | 1 Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:38: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:41: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:35: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:44: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:18: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:29: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:20: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:47: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:50: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1052:32: 1052 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1022:71: 1022 | subroutine pbc_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:1065:55: 1065 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1065:27: 1065 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:18: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:21: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1054:34: 1054 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1054:30: 1054 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1054:25: 1054 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:15: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1066:22: 1066 | real(wp) sstmp(6,6) !TESTST | 1 Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1053:36: 1053 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1053:42: 1053 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:27: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:30: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:33: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:36: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1053:16: 1053 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1053:21: 1053 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1053:26: 1053 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1053:31: 1053 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1055:24: 1055 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:47: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:873:45: 873 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:873:19: 873 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:862:14: 862 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:862:17: 862 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:862:20: 862 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:38: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:871:32: 871 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:871:35: 871 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:38: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:41: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:35: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:44: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:18: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:29: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:20: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:47: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:50: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:860:32: 860 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:828:71: 828 | subroutine ccm_build_SH0(nShell, hData, selfEnergy, nat, at, basis, nbf, nao, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:873:55: 873 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:873:27: 873 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:18: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:21: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:862:34: 862 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:862:30: 862 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:862:25: 862 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:15: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:874:22: 874 | real(wp) sstmp(6,6) !TESTST | 1 Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:861:36: 861 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:861:42: 861 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:27: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:30: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:33: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:36: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:861:16: 861 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:861:21: 861 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:861:26: 861 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:861:31: 861 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:863:24: 863 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:712:17: 712 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:712:19: 712 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:719:19: 719 | real(wp) :: r2,r,dr,rab | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:719:17: 719 | real(wp) :: r2,r,dr,rab | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:712:24: 712 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘wsat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:643:26: 643 | real(wp) :: ri(3),dr(3) | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:642:17: 642 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:642:21: 642 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:641:19: 641 | integer :: i,j,k,lin | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:641:23: 641 | integer :: i,j,k,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:643:20: 643 | real(wp) :: ri(3),dr(3) | 1 Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:653:27: 653 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:653:30: 653 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:653:33: 653 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:128:43: 128 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:196:51: 196 | real(wp),allocatable,dimension(:) :: aux | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:163:19: 163 | real(wp) :: den2 | 1 Warning: Unused variable ‘den2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:164:19: 164 | real(wp) :: den4 | 1 Warning: Unused variable ‘den4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:158:51: 158 | real(wp) , allocatable, dimension(:,:,:) :: dlcn | 1 Warning: Unused variable ‘dlcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:136:18: 136 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:193:52: 193 | real(wp),allocatable,dimension(:) :: ev_s | 1 Warning: Unused variable ‘ev_s’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:138:16: 138 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:156:52: 156 | real(wp) , allocatable, dimension(:,:,:) :: grab0 | 1 Warning: Unused variable ‘grab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:48:57: 48 | (env,mol,wfn,basis,xtbData,gbsa,egap,et,prlevel,grd,ccm,acc,etot,gradient,sigma,res) | 1 Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:159:51: 159 | real(wp), dimension(2) :: hbpi | 1 Warning: Unused variable ‘hbpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:160:51: 160 | real(wp), dimension(2) :: hbpj | 1 Warning: Unused variable ‘hbpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:169:18: 169 | integer :: ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:129:16: 129 | integer :: il,jl | 1 Warning: Unused variable ‘il’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:194:52: 194 | integer :: info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:128:19: 128 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:129:19: 129 | integer :: il,jl | 1 Warning: Unused variable ‘jl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:165:19: 165 | real(wp) :: ken2 | 1 Warning: Unused variable ‘ken2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:166:19: 166 | real(wp) :: ken4 | 1 Warning: Unused variable ‘ken4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:128:46: 128 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:157:50: 157 | real(wp) , allocatable, dimension(:) :: lcn | 1 Warning: Unused variable ‘lcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:195:53: 195 | integer :: lwork | 1 Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:128:27: 128 | integer :: ii,jj,i,j,k,m,iat,jat,ati,atj,kk | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:168:17: 168 | integer :: nh | 1 Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:167:18: 167 | integer :: nhb | 1 Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:155:51: 155 | real(wp) , allocatable, dimension(:) :: rab0 | 1 Warning: Unused variable ‘rab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:119:23: 119 | integer :: rep_cn(3) | 1 Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:192:52: 192 | real(wp),allocatable,dimension(:,:) :: Stmp | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:197:22: 197 | real(wp) :: test(1) | 1 Warning: Unused variable ‘test’ declared at (1) [-Wunused-variable] [272/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_xtb_calculator.f90.o -c ../src/xtb/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/xtb/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/calculator.f90:390:47: 390 | subroutine print_gfn2_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:371:47: 371 | subroutine print_gfn1_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:354:53: 354 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:354:47: 354 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:238:19: 238 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/xtb/calculator.f90:236:25: 236 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] [273/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_api_environment.f90.o -c ../src/api/environment.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/environment.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/environment.f90:185:43: 185 | subroutine setVerbosity_api(venv, verbosity) & | 1 Warning: Variable ‘verbosity’ at (1) is a dummy argument of the BIND(C) procedure ‘setverbosity_api’ but may not be C interoperable [-Wc-binding-type] ../src/api/environment.f90: In function ‘xtb_checkEnvironment’: ../src/api/environment.f90:99:33: warning: ‘status’ may be used uninitialized [-Wmaybe-uninitialized] 99 | end function checkEnvironment_api | ^ ../src/api/environment.f90:80:50: note: ‘status’ was declared here 80 | function checkEnvironment_api(venv) result(status) & | ^ [274/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_api_molecule.f90.o -c ../src/api/molecule.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/molecule.f90:121:28: 121 | real(wp) :: latvecs(3, 3) | 1 Warning: Unused variable ‘latvecs’ declared at (1) [-Wunused-variable] [275/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_api_results.f90.o -c ../src/api/results.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/results.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [276/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_oniom.f90.o -c ../src/oniom.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/oniom.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/oniom.f90:713:32: 713 | integer, allocatable :: at(:) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/oniom.f90:712:18: 712 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/oniom.f90:712:24: 712 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/oniom.f90:700:41: 700 | subroutine calculateCharge(self, env, mol, chk) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:712:21: 712 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/oniom.f90:712:34: 712 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘pre_last’ declared at (1) [-Wunused-variable] ../src/oniom.f90:678:15: 678 | integer :: b | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/oniom.f90:663:33: 663 | subroutine checkfororder(env, mol, idx1, idx2, bond, hybrid) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:460:26: 460 | type(TMolecule) :: cash | 1 Warning: Unused variable ‘cash’ declared at (1) [-Wunused-variable] ../src/oniom.f90:426:36: 426 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:426:25: 426 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:426:31: 426 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘unit’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:109:15: 109 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/oniom.f90:106:45: 106 | type(TOrcaCalculator), allocatable :: orca | 1 Warning: Unused variable ‘orca’ declared at (1) [-Wunused-variable] ../src/oniom.f90: In function ‘__xtb_oniom_MOD_cutbond’: ../src/oniom.f90:474:39: warning: ‘bonded.offset’ may be used uninitialized [-Wmaybe-uninitialized] 474 | integer, allocatable :: bonded(:, :) | ^ ../src/oniom.f90:474:39: warning: ‘bonded.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] [277/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_main_setup.f90.o -c ../src/main/setup.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/main/setup.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [278/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_main_defaults.f90.o -c ../src/main/defaults.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/main/defaults.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [279/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_api_calculator.f90.o -c ../src/api/calculator.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/calculator.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [280/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_api_interface.f90.o -c ../src/api/interface.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/api/interface.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [281/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_relaxation_engine.f90.o -c ../src/relaxation_engine.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/relaxation_engine.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/relaxation_engine.f90:1003:24: 1003 | Aaug(i*(1+i)/2) = 1.0_wp / hdiag(i) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:1005:28: 1005 | Aaug(npvar+1:npvar1-1) = g_anc | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:635:21: 635 | hess(i,j) = hessp(ij) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:636:21: 636 | hess(j,i) = hessp(ij) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:676:35: 676 | where(abs(eig).gt.thr) eig = eig+damp | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/relaxation_engine.f90:940:21: 940 | real(wp) :: depred | 1 Warning: Unused variable ‘depred’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:934:20: 934 | integer :: i,j,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:934:17: 934 | integer :: i,j,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:941:31: 941 | real(wp) :: max_displacement | 1 Warning: Unused variable ‘max_displacement’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:826:22: 826 | integer :: lastiter | 1 Warning: Unused variable ‘lastiter’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:193:19: 193 | real(wp) :: time | 1 Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_inertial_relax’: ../src/relaxation_engine.f90:1320:70: warning: ‘lat_apar’ may be used uninitialized [-Wmaybe-uninitialized] 1320 | & - lat_apar * lat_gradient/lat_gnorm * lat_speed | ^ ../src/relaxation_engine.f90:1227:23: note: ‘lat_apar’ was declared here 1227 | real(wp) :: lat_apar | ^ ../src/relaxation_engine.f90:1320:70: warning: ‘lat_gnorm’ may be used uninitialized [-Wmaybe-uninitialized] 1320 | & - lat_apar * lat_gradient/lat_gnorm * lat_speed | ^ ../src/relaxation_engine.f90:1223:24: note: ‘lat_gnorm’ was declared here 1223 | real(wp) :: lat_gnorm | ^ ../src/relaxation_engine.f90:1330:50: warning: ‘lat_time_step’ may be used uninitialized [-Wmaybe-uninitialized] 1330 | lat_time_step = lat_time_step*opt%fdec | ^ ../src/relaxation_engine.f90:1226:28: note: ‘lat_time_step’ was declared here 1226 | real(wp) :: lat_time_step | ^ ../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_l_ancopt’: ../src/relaxation_engine.f90:524:34: warning: ‘pr’ may be used uninitialized [-Wmaybe-uninitialized] 524 | if (avconv%nlog > 0 .and. pr) then | ^ ../src/relaxation_engine.f90:452:16: note: ‘pr’ declared here 452 | logical :: pr | ^ [282/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_geoopt_driver.f90.o -c ../src/geoopt_driver.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/geoopt_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [283/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_mdoptim.f90.o -c ../src/mdoptim.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/mdoptim.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mdoptim.f90:55:16: 55 | real(wp) :: e,angtoau | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:40:46: 40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/mdoptim.f90:59:13: 59 | logical ex, fail | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:48:20: 48 | integer :: icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:40:55: 40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/mdoptim.f90:57:30: 57 | integer i,j,iz1,iz2,nall,ol | 1 Warning: Unused variable ‘ol’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:52:27: 52 | type(scc_results) :: res | 1 Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] [284/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_scan_driver.f90.o -c ../src/scan_driver.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/scan_driver.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scan_driver.f90:55:20: 55 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [285/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_getkopt.f90.o -c ../src/getkopt.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/getkopt.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/getkopt.f90:112:43: 112 | & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,& | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:132:53: 132 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/getkopt.f90:112:27: 112 | & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,& | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:41:27: 41 | & etot,g,sigma,acc) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:67:53: 67 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../src/getkopt.f90:62:53: 62 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] [286/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_gfnff_struc_converter.f90.o -c ../src/gfnff/struc_converter.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/gfnff/struc_converter.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/struc_converter.f90:159:17: 159 | set%md_hmass = hmass_in | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/struc_converter.f90:26:38: 26 | & env,restart,mol,chk,egap,et,maxiter,maxcycle,& | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/gfnff/struc_converter.f90:67:54: 67 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/gfnff/struc_converter.f90:59:52: 59 | integer :: ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [287/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_screening.f90.o -c ../src/screening.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/screening.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/screening.f90:222:2: 222 | 99 write(*,*) | 1 Warning: Label 99 at (1) defined but not used [-Wunused-label] ../src/screening.f90:83:11: 83 | nall=set%ntemp_siman*set%time_md*1000/50 ! number of qmdff write outs | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/screening.f90:279:22: 279 | integer :: i,j,k,l,m,ndum,nstep,dumpstep | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/screening.f90:279:35: 279 | integer :: i,j,k,l,m,ndum,nstep,dumpstep | 1 Warning: Unused variable ‘nstep’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:32: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/screening.f90:71:23: 71 | logical :: checkrmsd | 1 Warning: Unused variable ‘checkrmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:27: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1 Warning: Unused variable ‘dens’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:55: 70 | logical :: fail,equalrot2,ohbonded,include_enan,enan,ex | 1 Warning: Unused variable ‘enan’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:22: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1 Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:24: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:27: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/screening.f90:49:16: 49 | integer icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:19: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:39: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:53: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:43: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘nst’ declared at (1) [-Wunused-variable] ../src/screening.f90:68:24: 68 | integer :: nall,ntemp,ncnf1,icyc,maxoptiter | 1 Warning: Unused variable ‘ntemp’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:37: 70 | logical :: fail,equalrot2,ohbonded,include_enan,enan,ex | 1 Warning: Unused variable ‘ohbonded’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:23: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/screening.f90:59:34: 59 | real(wp),allocatable :: rmat(:),eread(:) | 1 Warning: Unused variable ‘rmat’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:28: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:21: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] [288/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_modef.f90.o -c ../src/modef.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/modef.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/modef.f90:98:7: 98 | tag=365*val(1) + 30.5*val(2) + val(3) ! actual date | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/modef.f90:561:15: 561 | integer n3,i,nprj | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:34: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘aa1’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:46: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘aa2’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:38: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘bb1’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:50: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘bb2’ declared at (1) [-Wunused-variable] ../src/modef.f90:67:71: 67 | real(wp),allocatable:: coord0(:,:), displ(:), xyzmin(:,:), bmat(:,:) | 1 Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:42: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘cc1’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:54: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘cc2’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:68: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/modef.f90:59:19: 59 | integer :: icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/modef.f90:74:36: 74 | integer :: m,ifind,isave,imod,kkk,minpos,tag,n36 | 1 Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable] ../src/modef.f90:74:51: 74 | integer :: m,ifind,isave,imod,kkk,minpos,tag,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/modef.f90:80:31: 80 | logical :: ex,fail,vecupdate,scfonly,ldum,intermol | 1 Warning: Unused variable ‘vecupdate’ declared at (1) [-Wunused-variable] [289/322] gfortran -Ilibxtb.so.6.5.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -fPIC -pthread -fopenmp -Jlibxtb.so.6.5.1.p -o libxtb.so.6.5.1.p/src_bias_path.f90.o -c ../src/bias_path.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/bias_path.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bias_path.f90:862:31: 862 | real(wp) :: dum, ddot | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:863:31: 863 | integer :: i,j,k,l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:852:34: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | 1 Warning: Unused dummy argument ‘xyz0’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:852:39: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | 1 Warning: Unused dummy argument ‘xyz1’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:770:17: 770 | real(wp) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:770:23: 770 | real(wp) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:776:17: 776 | integer :: i,j,nf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:14: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:17: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:20: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:23: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:26: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:29: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:602:28: 602 | real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3) | 1 Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:602:43: 602 | real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3) | 1 Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:564:43: 564 | real(wp), allocatable, dimension(:) :: v | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:525:15: 525 | integer :: i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:526:25: 526 | integer :: modef, idat | 1 Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:514:34: 514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull) | 1 Warning: Unused dummy argument ‘its’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:525:17: 525 | integer :: i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:525:19: 525 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:526:19: 526 | integer :: modef, idat | 1 Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:524:36: 524 | real(wp), allocatable :: pvec1(:), pvec2(:) | 1 Warning: Unused variable ‘pvec1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:524:46: 524 | real(wp), allocatable :: pvec1(:), pvec2(:) | 1 Warning: Unused variable ‘pvec2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:514:42: 514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull) | 1 Warning: Unused dummy argument ‘xyzpath’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:88:18: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘de_min’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:49: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘distort’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:42: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘drms’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:55: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘dum0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:50: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:88:32: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘e_ed’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:88:37: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘e_pr’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:86:57: 86 | real(wp) fnat,rmsd_prod_thr,alp_change,k_change,edrmsd,ppull | 1 Warning: Unused variable ‘edrmsd’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:30:65: 30 | subroutine bias_path(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘epot’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:91:18: 91 | logical fail,ex,done,degen | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:47: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘gnew’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:55: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:88:27: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘grad_min’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:82:26: 82 | integer ilog,ilog2,idat ! file handle | 1 Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:80:60: 80 | integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath | 1 Warning: Unused variable ‘maxcycle’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:81:28: 81 | integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100) | 1 Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:80:22: 80 | integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:66: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘rms2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:80:32: 80 | integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:23: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:64: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:81:48: 81 | integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100) | 1 Warning: Unused variable ‘tsmodeav’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:71: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:74: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:17: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘x3’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:30: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:665:28: 665 | subroutine cqpath_repos_asym(n,x1,x2) | ^ Warning: ‘cqpath_repos_asym’ defined but not used [-Wunused-function] ../src/bias_path.f90:698:29: 698 | subroutine cqpath_cube_spline(n,x,y,x2,y2) | ^ Warning: ‘cqpath_cube_spline’ defined but not used [-Wunused-function] ../src/bias_path.f90:852:20: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | ^ Warning: ‘cleanpath’ defined but not used [-Wunused-function] In function ‘__xtb_biaspath_MOD_cqpath_damped_cube_spline’, inlined from ‘__xtb_biaspath_MOD_alignpath’ at ../src/bias_path.f90:626:83, inlined from ‘__xtb_biaspath_MOD_bias_path’ at ../src/bias_path.f90:383:38: ../src/bias_path.f90:746:20: warning: ‘y_wert’ may be used uninitialized [-Wmaybe-uninitialized] 746 | y2(i) = y_wert | ^ ../src/bias_path.f90: In function ‘__xtb_biaspath_MOD_bias_path’: ../src/bias_path.f90:737:18: note: ‘y_wert’ was declared here 737 | real(wp) y_wert | ^ [290/322] rm -f libxtb.a && gcc-ar csrD libxtb.a libxtb.so.6.5.1.p/src_api_calculator.f90.o libxtb.so.6.5.1.p/src_api_environment.f90.o libxtb.so.6.5.1.p/src_api_molecule.f90.o libxtb.so.6.5.1.p/src_api_interface.f90.o libxtb.so.6.5.1.p/src_api_results.f90.o libxtb.so.6.5.1.p/src_api_utils.f90.o libxtb.so.6.5.1.p/src_api_version.f90.o libxtb.so.6.5.1.p/src_coulomb_ewald.f90.o libxtb.so.6.5.1.p/src_coulomb_gaussian.f90.o libxtb.so.6.5.1.p/src_coulomb_klopmanohno.f90.o libxtb.so.6.5.1.p/src_disp_coordinationnumber.f90.o libxtb.so.6.5.1.p/src_disp_dftd3.f.o libxtb.so.6.5.1.p/src_disp_dftd3.f90.o libxtb.so.6.5.1.p/src_disp_dftd3_parameters.f90.o libxtb.so.6.5.1.p/src_disp_dftd4.F90.o libxtb.so.6.5.1.p/src_disp_dftd4_parameters.f90.o libxtb.so.6.5.1.p/src_disp_encharges.f90.o libxtb.so.6.5.1.p/src_disp_ncoord.f90.o libxtb.so.6.5.1.p/src_extern_driver.f90.o libxtb.so.6.5.1.p/src_extern_mopac.f90.o libxtb.so.6.5.1.p/src_extern_orca.f90.o libxtb.so.6.5.1.p/src_extern_turbomole.f90.o libxtb.so.6.5.1.p/src_freq_io.f90.o libxtb.so.6.5.1.p/src_freq_project.f90.o libxtb.so.6.5.1.p/src_freq_utils.f90.o libxtb.so.6.5.1.p/src_gfnff_calculator.f90.o libxtb.so.6.5.1.p/src_gfnff_data.f90.o libxtb.so.6.5.1.p/src_gfnff_frag_hess.f90.o libxtb.so.6.5.1.p/src_gfnff_gdisp0.f90.o libxtb.so.6.5.1.p/src_gfnff_generator.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_eg.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_ini.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_ini2.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_param.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_qm.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_rab.f.o libxtb.so.6.5.1.p/src_gfnff_gfnff_setup.f90.o libxtb.so.6.5.1.p/src_gfnff_math.f.o libxtb.so.6.5.1.p/src_gfnff_mrec.f90.o libxtb.so.6.5.1.p/src_gfnff_neighbourlist.f90.o libxtb.so.6.5.1.p/src_gfnff_shake_module.f90.o libxtb.so.6.5.1.p/src_gfnff_struc_converter.f90.o libxtb.so.6.5.1.p/src_gfnff_topology.f90.o libxtb.so.6.5.1.p/src_io_reader_genformat.f90.o libxtb.so.6.5.1.p/src_io_reader_orca.f90.o libxtb.so.6.5.1.p/src_io_reader_turbomole.f90.o libxtb.so.6.5.1.p/src_io_writer_gaussian.f90.o libxtb.so.6.5.1.p/src_io_writer_orca.f90.o libxtb.so.6.5.1.p/src_io_writer_turbomole.f90.o libxtb.so.6.5.1.p/src_io_reader.f90.o libxtb.so.6.5.1.p/src_io_writer.f90.o libxtb.so.6.5.1.p/src_main_defaults.f90.o libxtb.so.6.5.1.p/src_main_geometry.f90.o libxtb.so.6.5.1.p/src_main_json.f90.o libxtb.so.6.5.1.p/src_main_property.F90.o libxtb.so.6.5.1.p/src_main_setup.f90.o libxtb.so.6.5.1.p/src_mctc_blas_level1.F90.o libxtb.so.6.5.1.p/src_mctc_blas_level2.F90.o libxtb.so.6.5.1.p/src_mctc_blas_level3.F90.o libxtb.so.6.5.1.p/src_mctc_blas_wrap1.f90.o libxtb.so.6.5.1.p/src_mctc_blas_wrap2.f90.o libxtb.so.6.5.1.p/src_mctc_blas_wrap3.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_eigensolve.F90.o libxtb.so.6.5.1.p/src_mctc_lapack_geneigval.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_gst.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_stdeigval.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_trf.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_tri.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_trs.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_wrap.f90.o libxtb.so.6.5.1.p/src_mctc_accuracy.f90.o libxtb.so.6.5.1.p/src_mctc_boundaryconditions.f90.o libxtb.so.6.5.1.p/src_mctc_chartools.f90.o libxtb.so.6.5.1.p/src_mctc_convert.f90.o libxtb.so.6.5.1.p/src_mctc_filetypes.f90.o libxtb.so.6.5.1.p/src_mctc_io.f90.o libxtb.so.6.5.1.p/src_mctc_math.f90.o libxtb.so.6.5.1.p/src_mctc_namegen.f90.o libxtb.so.6.5.1.p/src_mctc_resize.f90.o libxtb.so.6.5.1.p/src_mctc_runtypes.f90.o libxtb.so.6.5.1.p/src_mctc_search.f90.o libxtb.so.6.5.1.p/src_mctc_sort.f90.o libxtb.so.6.5.1.p/src_mctc_symbols.f90.o libxtb.so.6.5.1.p/src_mctc_systools.F90.o libxtb.so.6.5.1.p/src_mctc_thresholds.f90.o libxtb.so.6.5.1.p/src_mctc_version.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_global.F90.o libxtb.so.6.5.1.p/src_mctc_mctc_strings.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_constants.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_param.f90.o libxtb.so.6.5.1.p/src_mctc_param_atomic_masses.f90.o libxtb.so.6.5.1.p/src_mctc_param_chemical_hardnesses.f90.o libxtb.so.6.5.1.p/src_mctc_param_covalent_radii.f90.o libxtb.so.6.5.1.p/src_mctc_param_electronegativities.f90.o libxtb.so.6.5.1.p/src_mctc_param_pse.f90.o libxtb.so.6.5.1.p/src_mctc_param_r4r2_expectation_values.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_timings.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_filetools.f90.o libxtb.so.6.5.1.p/src_mctc_linalg.f90.o libxtb.so.6.5.1.p/src_mctc_lapack.f90.o libxtb.so.6.5.1.p/src_mctc_blas.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_init.F90.o libxtb.so.6.5.1.p/src_mctc_error.f90.o libxtb.so.6.5.1.p/src_mctc_signal.c.o libxtb.so.6.5.1.p/src_param_atomicmass.f90.o libxtb.so.6.5.1.p/src_param_atomicrad.f90.o libxtb.so.6.5.1.p/src_param_covalentradd3.f90.o libxtb.so.6.5.1.p/src_param_paulingen.f90.o libxtb.so.6.5.1.p/src_param_sqrtzr4r2.f90.o libxtb.so.6.5.1.p/src_param_vdwradd3.f90.o libxtb.so.6.5.1.p/src_type_anc.f90.o libxtb.so.6.5.1.p/src_type_atomlist.f90.o libxtb.so.6.5.1.p/src_type_basisset.f90.o libxtb.so.6.5.1.p/src_type_buffer.f90.o libxtb.so.6.5.1.p/src_type_calculator.f90.o libxtb.so.6.5.1.p/src_type_coulomb.f90.o libxtb.so.6.5.1.p/src_type_data.f90.o libxtb.so.6.5.1.p/src_type_dispersion_model.f90.o libxtb.so.6.5.1.p/src_type_environment.f90.o libxtb.so.6.5.1.p/src_type_fragments.f90.o libxtb.so.6.5.1.p/src_type_identitymap.f90.o libxtb.so.6.5.1.p/src_type_iohandler.f90.o libxtb.so.6.5.1.p/src_type_molecule.f90.o libxtb.so.6.5.1.p/src_type_neighbourlist.f90.o libxtb.so.6.5.1.p/src_type_latticepoint.f90.o libxtb.so.6.5.1.p/src_type_options.f90.o libxtb.so.6.5.1.p/src_type_param.f90.o libxtb.so.6.5.1.p/src_type_pcem.f90.o libxtb.so.6.5.1.p/src_type_reader.F90.o libxtb.so.6.5.1.p/src_type_restart.f90.o libxtb.so.6.5.1.p/src_type_setvar.f90.o libxtb.so.6.5.1.p/src_type_solvation.f90.o libxtb.so.6.5.1.p/src_type_timer.f90.o libxtb.so.6.5.1.p/src_type_topology.f90.o libxtb.so.6.5.1.p/src_type_wavefunction.f90.o libxtb.so.6.5.1.p/src_type_wignerseitzcell.f90.o libxtb.so.6.5.1.p/src_type_wsc.f90.o libxtb.so.6.5.1.p/src_type_vendordata.f90.o libxtb.so.6.5.1.p/src_solv_ddcosmo_core.f90.o libxtb.so.6.5.1.p/src_solv_ddcosmo_solver.f90.o libxtb.so.6.5.1.p/src_solv_born.f90.o libxtb.so.6.5.1.p/src_solv_cm5.f90.o libxtb.so.6.5.1.p/src_solv_cosmo.f90.o libxtb.so.6.5.1.p/src_solv_gbsa.f90.o libxtb.so.6.5.1.p/src_solv_input.F90.o libxtb.so.6.5.1.p/src_solv_kernel.f90.o libxtb.so.6.5.1.p/src_solv_lebedev.f90.o libxtb.so.6.5.1.p/src_solv_model.f90.o libxtb.so.6.5.1.p/src_solv_sasa.f90.o libxtb.so.6.5.1.p/src_solv_state.f90.o libxtb.so.6.5.1.p/src_xtb_basisset.f90.o libxtb.so.6.5.1.p/src_xtb_calculator.f90.o libxtb.so.6.5.1.p/src_xtb_coulomb.f90.o libxtb.so.6.5.1.p/src_xtb_data.f90.o libxtb.so.6.5.1.p/src_xtb_dispersion.f90.o libxtb.so.6.5.1.p/src_xtb_eeq.f90.o libxtb.so.6.5.1.p/src_xtb_gfn0.f90.o libxtb.so.6.5.1.p/src_xtb_gfn1.f90.o libxtb.so.6.5.1.p/src_xtb_gfn2.f90.o libxtb.so.6.5.1.p/src_xtb_halogen.f90.o libxtb.so.6.5.1.p/src_xtb_hamiltonian.f90.o libxtb.so.6.5.1.p/src_xtb_hamiltonian_gpu.f90.o libxtb.so.6.5.1.p/src_xtb_multipole.f90.o libxtb.so.6.5.1.p/src_xtb_repulsion.F90.o libxtb.so.6.5.1.p/src_xtb_thirdorder.f90.o libxtb.so.6.5.1.p/src_aespot.f90.o libxtb.so.6.5.1.p/src_anharmlib.f90.o libxtb.so.6.5.1.p/src_aoparam.f90.o libxtb.so.6.5.1.p/src_approxrab.f90.o libxtb.so.6.5.1.p/src_axis_trafo.f90.o libxtb.so.6.5.1.p/src_basic_geo.f90.o libxtb.so.6.5.1.p/src_bfgs.f90.o libxtb.so.6.5.1.p/src_bias_path.f90.o libxtb.so.6.5.1.p/src_blowsy.f90.o libxtb.so.6.5.1.p/src_broyden.f90.o libxtb.so.6.5.1.p/src_charge_model.f90.o libxtb.so.6.5.1.p/src_coffee.f90.o libxtb.so.6.5.1.p/src_constrain_param.f90.o libxtb.so.6.5.1.p/src_constrain_pot.f90.o libxtb.so.6.5.1.p/src_constr.f90.o libxtb.so.6.5.1.p/src_cqpath.f90.o libxtb.so.6.5.1.p/src_cube.f90.o libxtb.so.6.5.1.p/src_david2.f90.o libxtb.so.6.5.1.p/src_david.f.o libxtb.so.6.5.1.p/src_define.f90.o libxtb.so.6.5.1.p/src_detrotra.f90.o libxtb.so.6.5.1.p/src_dipole.f90.o libxtb.so.6.5.1.p/src_drsp.f.o libxtb.so.6.5.1.p/src_dtrafo.f90.o libxtb.so.6.5.1.p/src_dynamic.f90.o libxtb.so.6.5.1.p/src_eeq_model.f90.o libxtb.so.6.5.1.p/src_elem.f90.o libxtb.so.6.5.1.p/src_embedding.f90.o libxtb.so.6.5.1.p/src_enso_printout.f90.o libxtb.so.6.5.1.p/src_eqrot.f90.o libxtb.so.6.5.1.p/src_esp.f.o libxtb.so.6.5.1.p/src_expire.f90.o libxtb.so.6.5.1.p/src_filetools.F90.o libxtb.so.6.5.1.p/src_fixparam.f90.o libxtb.so.6.5.1.p/src_foden.f90.o libxtb.so.6.5.1.p/src_fragment.f90.o libxtb.so.6.5.1.p/src_generate_wsc.f90.o libxtb.so.6.5.1.p/src_geoopt_driver.f90.o libxtb.so.6.5.1.p/src_geosum.f90.o libxtb.so.6.5.1.p/src_getkopt.f90.o libxtb.so.6.5.1.p/src_getname.f90.o libxtb.so.6.5.1.p/src_getsymnum.f90.o libxtb.so.6.5.1.p/src_gfn0param.f90.o libxtb.so.6.5.1.p/src_gfn_paramset.f90.o libxtb.so.6.5.1.p/src_gfn_prparam.f90.o libxtb.so.6.5.1.p/src_grad_core.f90.o libxtb.so.6.5.1.p/src_header.f90.o libxtb.so.6.5.1.p/src_hessian.F90.o libxtb.so.6.5.1.p/src_hlex.f90.o libxtb.so.6.5.1.p/src_ifind.f90.o libxtb.so.6.5.1.p/src_iniq.f90.o libxtb.so.6.5.1.p/src_intgrad.f90.o libxtb.so.6.5.1.p/src_intmodes.f90.o libxtb.so.6.5.1.p/src_intpack.f90.o libxtb.so.6.5.1.p/src_lidep.f90.o libxtb.so.6.5.1.p/src_lindh.f90.o libxtb.so.6.5.1.p/src_lin.f90.o libxtb.so.6.5.1.p/src_lin_mod.f90.o libxtb.so.6.5.1.p/src_local.f90.o libxtb.so.6.5.1.p/src_locmode.f90.o libxtb.so.6.5.1.p/src_lopt.f90.o libxtb.so.6.5.1.p/src_ls_rmsd.f90.o libxtb.so.6.5.1.p/src_makel.f90.o libxtb.so.6.5.1.p/src_matinv.f90.o libxtb.so.6.5.1.p/src_mdoptim.f90.o libxtb.so.6.5.1.p/src_metadynamic.f90.o libxtb.so.6.5.1.p/src_modef.f90.o libxtb.so.6.5.1.p/src_model_hessian.f90.o libxtb.so.6.5.1.p/src_neighbor.f90.o libxtb.so.6.5.1.p/src_onetri.f90.o libxtb.so.6.5.1.p/src_oniom.f90.o libxtb.so.6.5.1.p/src_optimizer.f90.o libxtb.so.6.5.1.p/src_pbc.f90.o libxtb.so.6.5.1.p/src_pbc_tools.f90.o libxtb.so.6.5.1.p/src_peeq_module.f90.o libxtb.so.6.5.1.p/src_pocketscan.f90.o libxtb.so.6.5.1.p/src_pqn.f90.o libxtb.so.6.5.1.p/src_printmold.f90.o libxtb.so.6.5.1.p/src_printout.f90.o libxtb.so.6.5.1.p/src_prmat.f90.o libxtb.so.6.5.1.p/src_pseudodiag.f90.o libxtb.so.6.5.1.p/src_qpot.f90.o libxtb.so.6.5.1.p/src_qsort.f90.o libxtb.so.6.5.1.p/src_rdcoord2.f90.o libxtb.so.6.5.1.p/src_read_gfn_param.f90.o libxtb.so.6.5.1.p/src_readin.f90.o libxtb.so.6.5.1.p/src_readl2.f90.o libxtb.so.6.5.1.p/src_readl.f90.o libxtb.so.6.5.1.p/src_relaxation_engine.f90.o libxtb.so.6.5.1.p/src_restart.f90.o libxtb.so.6.5.1.p/src_rmrottr.f90.o libxtb.so.6.5.1.p/src_rmsd.f90.o libxtb.so.6.5.1.p/src_scan_driver.f90.o libxtb.so.6.5.1.p/src_scanparam.f90.o libxtb.so.6.5.1.p/src_scc_core.f90.o libxtb.so.6.5.1.p/src_scf_module.F90.o libxtb.so.6.5.1.p/src_screening.f90.o libxtb.so.6.5.1.p/src_set_module.f90.o libxtb.so.6.5.1.p/src_setparam.f90.o libxtb.so.6.5.1.p/src_shake_module.f90.o libxtb.so.6.5.1.p/src_shiftlp.f90.o libxtb.so.6.5.1.p/src_single.f90.o libxtb.so.6.5.1.p/src_slater.f90.o libxtb.so.6.5.1.p/src_sphereparam.f90.o libxtb.so.6.5.1.p/src_spline2.f90.o libxtb.so.6.5.1.p/src_spline3.f90.o libxtb.so.6.5.1.p/src_splitparam.f90.o libxtb.so.6.5.1.p/src_stm.f.o libxtb.so.6.5.1.p/src_surfac.f.o libxtb.so.6.5.1.p/src_thermo.f90.o libxtb.so.6.5.1.p/src_timing.f90.o libxtb.so.6.5.1.p/src_topology.f90.o libxtb.so.6.5.1.p/src_wrbas.f90.o libxtb.so.6.5.1.p/src_wrgbw.f90.o libxtb.so.6.5.1.p/src_wrmodef.f90.o libxtb.so.6.5.1.p/src_wrmo.f90.o libxtb.so.6.5.1.p/src_xhelp.f90.o libxtb.so.6.5.1.p/src_zmatpr.f90.o libxtb.so.6.5.1.p/symmetry_symmetry.f90.o libxtb.so.6.5.1.p/symmetry_symmetry_i.c.o [291/322] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_submodules.f90.o -c ../src/prog/submodules.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/submodules.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [292/322] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_argparser.f90.o -c ../src/prog/argparser.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/argparser.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [293/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_atomlist.f90.o -c ../test/unit/test_atomlist.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_atomlist.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_atomlist.f90:108:34: 108 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:93:42: 93 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:82:34: 82 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:81:42: 81 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:70:34: 70 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:69:42: 69 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:57:34: 57 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:56:42: 56 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] [294/322] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_info.f90.o -c ../src/prog/info.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/info.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [295/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/molstock.f90.o -c ../test/unit/molstock.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/molstock.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [296/322] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_thermo.f90.o -c ../src/prog/thermo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prog/thermo.f90:23:7: 23 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] [297/322] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_topology.f90.o -c ../src/prog/topology.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/topology.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prog/topology.f90:23:7: 23 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/topology.f90:149:45: 149 | character(len=:), allocatable :: flag, sec | 1 Warning: Unused variable ‘sec’ declared at (1) [-Wunused-variable] [298/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_coordinationnumber.f90.o -c ../test/unit/test_coordinationnumber.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_coordinationnumber.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [299/322] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_main.F90.o -c ../src/prog/main.F90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] ../src/prog/main.F90:21:7: 21 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/main.F90:1131:24: 1131 | integer :: idum, ndum | 1 Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:114:33: 114 | type(chrg_parameter) :: chrgeq | 1 Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:183:22: 183 | logical :: epr,diff,murks | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:172:19: 172 | real(wp) :: dum5,egap,etot,ipeashift | 1 Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:146:45: 146 | real(wp),allocatable :: dumdumdum (:,:,:) | 1 Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:183:17: 183 | logical :: epr,diff,murks | 1 Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:182:16: 182 | logical :: ex,okbas | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:189:21: 189 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:173:46: 173 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:143:33: 143 | type(TxTBParameter) :: globpar | 1 Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:187:23: 187 | logical :: newreader | 1 Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:194:19: 194 | integer :: nproc | 1 Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:182:22: 182 | logical :: ex,okbas | 1 Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:193:38: 193 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1 Warning: Unused variable ‘omp_get_num_threads’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:193:58: 193 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1 Warning: Unused variable ‘omp_get_thread_num’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:147:33: 147 | real(wp),allocatable :: q (:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:148:34: 148 | real(wp),allocatable :: ql (:) | 1 Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:149:34: 149 | real(wp),allocatable :: qr (:) | 1 Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:173:22: 173 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:173:25: 173 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:193:17: 193 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1 Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:176:28: 176 | real(wp) :: vomega,vfukui | 1 Warning: Unused variable ‘vfukui’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:173:28: 173 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:173:31: 173 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/prog/main.F90: In function ‘__xtb_prog_main_MOD_xtbmain’: ../src/prog/main.F90:714:35: warning: ‘ip’ may be used uninitialized [-Wmaybe-uninitialized] 714 | vomega=(ip+ea)**2/(8*(ip-ea)) | ^ ../src/prog/main.F90:175:20: note: ‘ip’ was declared here 175 | real(wp) :: ea,ip | ^ [300/322] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_primary.f90.o -c ../src/prog/primary.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../src/prog/primary.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [301/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_dftd3.f90.o -c ../test/unit/test_dftd3.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_dftd3.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_dftd3.f90:664:32: 664 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:661:53: 661 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:488:32: 488 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:485:53: 485 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:298:32: 298 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:295:53: 295 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:113:32: 113 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] [302/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_dftd4.f90.o -c ../test/unit/test_dftd4.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_dftd4.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_dftd4.f90:741:58: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:741:45: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:733:32: 733 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:741:32: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:730:53: 730 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:58: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:45: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:550:32: 550 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:32: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:547:53: 547 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:335:32: 335 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:332:53: 332 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:120:32: 120 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] [303/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_eeq.f90.o -c ../test/unit/test_eeq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_eeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_eeq.f90:554:35: 554 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:554:42: 554 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1 Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:185:21: 185 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:77:21: 77 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [304/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_coulomb.f90.o -c ../test/unit/test_coulomb.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_coulomb.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_coulomb.f90:1507:18: 1507 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:1335:18: 1335 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:1174:18: 1174 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:895:18: 895 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:697:18: 697 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:437:18: 437 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:263:18: 263 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:94:18: 94 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [305/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_gfn0.f90.o -c ../test/unit/test_gfn0.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_gfn0.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn0.f90:102:37: 102 | logical :: okpar,okbas,exist,diff | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [306/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_gfn1.f90.o -c ../test/unit/test_gfn1.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_gfn1.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn1.f90:795:18: 795 | integer :: iMol | 1 Warning: Unused variable ‘imol’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:535:29: 535 | type(tb_pcem) :: pcem | 1 Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:543:26: 543 | real(wp) :: stress(3,3) | 1 Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:100:31: 100 | logical :: okpar,okbas,diff,exitRun | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [307/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_gfn2.f90.o -c ../test/unit/test_gfn2.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_gfn2.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [308/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_hessian.f90.o -c ../test/unit/test_hessian.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_hessian.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [309/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_latticepoint.f90.o -c ../test/unit/test_latticepoint.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_latticepoint.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [310/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_molecule.f90.o -c ../test/unit/test_molecule.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_molecule.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [311/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_gfnff.f90.o -c ../test/unit/test_gfnff.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_gfnff.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfnff.f90:258:20: 258 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:255:38: 255 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:256:19: 256 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:173:20: 173 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:170:38: 170 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:171:19: 171 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:91:20: 91 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:88:38: 88 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:89:19: 89 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] [312/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_pbc_tools.f90.o -c ../test/unit/test_pbc_tools.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_pbc_tools.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [313/322] gcc -o test/api/xtb_c_test test/api/xtb_c_test.p/c_api_example.c.o -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -Wl,--as-needed -Wl,--no-undefined -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 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [314/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_symmetry.f90.o -c ../test/unit/test_symmetry.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_symmetry.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_c20’: ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_pcl3’: ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_li8’: ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_water’: ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ [315/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_thermo.f90.o -c ../test/unit/test_thermo.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_thermo.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_thermo.f90:242:19: 242 | real(wp) :: etot, htot, gtot | 1 Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] ../test/unit/test_thermo.f90:71:38: 71 | real(wp) :: eval3(3), coord3(3,nat) | 1 Warning: Unused variable ‘coord3’ declared at (1) [-Wunused-variable] ../test/unit/test_thermo.f90:71:23: 71 | real(wp) :: eval3(3), coord3(3,nat) | 1 Warning: Unused variable ‘eval3’ declared at (1) [-Wunused-variable] [316/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_repulsion.f90.o -c ../test/unit/test_repulsion.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_repulsion.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_repulsion.f90:218:18: 218 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_repulsion.f90:86:18: 86 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [317/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_wsc.f90.o -c ../test/unit/test_wsc.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_wsc.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [318/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/test_peeq.f90.o -c ../test/unit/test_peeq.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/test_peeq.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_peeq.f90:146:13: 146 | wfn%nel = idint(sum(mol%z)) - mol%chrg | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../test/unit/test_peeq.f90:110:25: 110 | logical :: okbas,diff | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [319/322] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.5.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.0.0 -I/usr/include/test-drive/GNU-13.0.0 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -pthread -fopenmp -Jtest/unit/tester.p -o test/unit/tester.p/main.f90.o -c ../test/unit/main.f90 f951: Warning: ‘-Werror=’ argument ‘-Werror=format-security’ is not valid for Fortran f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.0.0’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.0.0’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined annobin: ../test/unit/main.f90: Warning: -D_GLIBCXX_ASSERTIONS not defined [320/322] gfortran -o xtb xtb.p/src_prog_argparser.f90.o xtb.p/src_prog_info.f90.o xtb.p/src_prog_main.F90.o xtb.p/src_prog_primary.f90.o xtb.p/src_prog_submodules.f90.o xtb.p/src_prog_thermo.f90.o xtb.p/src_prog_topology.f90.o -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -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 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [321/322] gcc -o libxtb.so.6.5.1 libxtb.so.6.5.1.p/src_api_calculator.f90.o libxtb.so.6.5.1.p/src_api_environment.f90.o libxtb.so.6.5.1.p/src_api_molecule.f90.o libxtb.so.6.5.1.p/src_api_interface.f90.o libxtb.so.6.5.1.p/src_api_results.f90.o libxtb.so.6.5.1.p/src_api_utils.f90.o libxtb.so.6.5.1.p/src_api_version.f90.o libxtb.so.6.5.1.p/src_coulomb_ewald.f90.o libxtb.so.6.5.1.p/src_coulomb_gaussian.f90.o libxtb.so.6.5.1.p/src_coulomb_klopmanohno.f90.o libxtb.so.6.5.1.p/src_disp_coordinationnumber.f90.o libxtb.so.6.5.1.p/src_disp_dftd3.f.o libxtb.so.6.5.1.p/src_disp_dftd3.f90.o libxtb.so.6.5.1.p/src_disp_dftd3_parameters.f90.o libxtb.so.6.5.1.p/src_disp_dftd4.F90.o libxtb.so.6.5.1.p/src_disp_dftd4_parameters.f90.o libxtb.so.6.5.1.p/src_disp_encharges.f90.o libxtb.so.6.5.1.p/src_disp_ncoord.f90.o libxtb.so.6.5.1.p/src_extern_driver.f90.o libxtb.so.6.5.1.p/src_extern_mopac.f90.o libxtb.so.6.5.1.p/src_extern_orca.f90.o libxtb.so.6.5.1.p/src_extern_turbomole.f90.o libxtb.so.6.5.1.p/src_freq_io.f90.o libxtb.so.6.5.1.p/src_freq_project.f90.o libxtb.so.6.5.1.p/src_freq_utils.f90.o libxtb.so.6.5.1.p/src_gfnff_calculator.f90.o libxtb.so.6.5.1.p/src_gfnff_data.f90.o libxtb.so.6.5.1.p/src_gfnff_frag_hess.f90.o libxtb.so.6.5.1.p/src_gfnff_gdisp0.f90.o libxtb.so.6.5.1.p/src_gfnff_generator.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_eg.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_ini.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_ini2.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_param.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_qm.f90.o libxtb.so.6.5.1.p/src_gfnff_gfnff_rab.f.o libxtb.so.6.5.1.p/src_gfnff_gfnff_setup.f90.o libxtb.so.6.5.1.p/src_gfnff_math.f.o libxtb.so.6.5.1.p/src_gfnff_mrec.f90.o libxtb.so.6.5.1.p/src_gfnff_neighbourlist.f90.o libxtb.so.6.5.1.p/src_gfnff_shake_module.f90.o libxtb.so.6.5.1.p/src_gfnff_struc_converter.f90.o libxtb.so.6.5.1.p/src_gfnff_topology.f90.o libxtb.so.6.5.1.p/src_io_reader_genformat.f90.o libxtb.so.6.5.1.p/src_io_reader_orca.f90.o libxtb.so.6.5.1.p/src_io_reader_turbomole.f90.o libxtb.so.6.5.1.p/src_io_writer_gaussian.f90.o libxtb.so.6.5.1.p/src_io_writer_orca.f90.o libxtb.so.6.5.1.p/src_io_writer_turbomole.f90.o libxtb.so.6.5.1.p/src_io_reader.f90.o libxtb.so.6.5.1.p/src_io_writer.f90.o libxtb.so.6.5.1.p/src_main_defaults.f90.o libxtb.so.6.5.1.p/src_main_geometry.f90.o libxtb.so.6.5.1.p/src_main_json.f90.o libxtb.so.6.5.1.p/src_main_property.F90.o libxtb.so.6.5.1.p/src_main_setup.f90.o libxtb.so.6.5.1.p/src_mctc_blas_level1.F90.o libxtb.so.6.5.1.p/src_mctc_blas_level2.F90.o libxtb.so.6.5.1.p/src_mctc_blas_level3.F90.o libxtb.so.6.5.1.p/src_mctc_blas_wrap1.f90.o libxtb.so.6.5.1.p/src_mctc_blas_wrap2.f90.o libxtb.so.6.5.1.p/src_mctc_blas_wrap3.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_eigensolve.F90.o libxtb.so.6.5.1.p/src_mctc_lapack_geneigval.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_gst.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_stdeigval.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_trf.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_tri.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_trs.f90.o libxtb.so.6.5.1.p/src_mctc_lapack_wrap.f90.o libxtb.so.6.5.1.p/src_mctc_accuracy.f90.o libxtb.so.6.5.1.p/src_mctc_boundaryconditions.f90.o libxtb.so.6.5.1.p/src_mctc_chartools.f90.o libxtb.so.6.5.1.p/src_mctc_convert.f90.o libxtb.so.6.5.1.p/src_mctc_filetypes.f90.o libxtb.so.6.5.1.p/src_mctc_io.f90.o libxtb.so.6.5.1.p/src_mctc_math.f90.o libxtb.so.6.5.1.p/src_mctc_namegen.f90.o libxtb.so.6.5.1.p/src_mctc_resize.f90.o libxtb.so.6.5.1.p/src_mctc_runtypes.f90.o libxtb.so.6.5.1.p/src_mctc_search.f90.o libxtb.so.6.5.1.p/src_mctc_sort.f90.o libxtb.so.6.5.1.p/src_mctc_symbols.f90.o libxtb.so.6.5.1.p/src_mctc_systools.F90.o libxtb.so.6.5.1.p/src_mctc_thresholds.f90.o libxtb.so.6.5.1.p/src_mctc_version.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_global.F90.o libxtb.so.6.5.1.p/src_mctc_mctc_strings.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_constants.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_param.f90.o libxtb.so.6.5.1.p/src_mctc_param_atomic_masses.f90.o libxtb.so.6.5.1.p/src_mctc_param_chemical_hardnesses.f90.o libxtb.so.6.5.1.p/src_mctc_param_covalent_radii.f90.o libxtb.so.6.5.1.p/src_mctc_param_electronegativities.f90.o libxtb.so.6.5.1.p/src_mctc_param_pse.f90.o libxtb.so.6.5.1.p/src_mctc_param_r4r2_expectation_values.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_timings.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_filetools.f90.o libxtb.so.6.5.1.p/src_mctc_linalg.f90.o libxtb.so.6.5.1.p/src_mctc_lapack.f90.o libxtb.so.6.5.1.p/src_mctc_blas.f90.o libxtb.so.6.5.1.p/src_mctc_mctc_init.F90.o libxtb.so.6.5.1.p/src_mctc_error.f90.o libxtb.so.6.5.1.p/src_mctc_signal.c.o libxtb.so.6.5.1.p/src_param_atomicmass.f90.o libxtb.so.6.5.1.p/src_param_atomicrad.f90.o libxtb.so.6.5.1.p/src_param_covalentradd3.f90.o libxtb.so.6.5.1.p/src_param_paulingen.f90.o libxtb.so.6.5.1.p/src_param_sqrtzr4r2.f90.o libxtb.so.6.5.1.p/src_param_vdwradd3.f90.o libxtb.so.6.5.1.p/src_type_anc.f90.o libxtb.so.6.5.1.p/src_type_atomlist.f90.o libxtb.so.6.5.1.p/src_type_basisset.f90.o libxtb.so.6.5.1.p/src_type_buffer.f90.o libxtb.so.6.5.1.p/src_type_calculator.f90.o libxtb.so.6.5.1.p/src_type_coulomb.f90.o libxtb.so.6.5.1.p/src_type_data.f90.o libxtb.so.6.5.1.p/src_type_dispersion_model.f90.o libxtb.so.6.5.1.p/src_type_environment.f90.o libxtb.so.6.5.1.p/src_type_fragments.f90.o libxtb.so.6.5.1.p/src_type_identitymap.f90.o libxtb.so.6.5.1.p/src_type_iohandler.f90.o libxtb.so.6.5.1.p/src_type_molecule.f90.o libxtb.so.6.5.1.p/src_type_neighbourlist.f90.o libxtb.so.6.5.1.p/src_type_latticepoint.f90.o libxtb.so.6.5.1.p/src_type_options.f90.o libxtb.so.6.5.1.p/src_type_param.f90.o libxtb.so.6.5.1.p/src_type_pcem.f90.o libxtb.so.6.5.1.p/src_type_reader.F90.o libxtb.so.6.5.1.p/src_type_restart.f90.o libxtb.so.6.5.1.p/src_type_setvar.f90.o libxtb.so.6.5.1.p/src_type_solvation.f90.o libxtb.so.6.5.1.p/src_type_timer.f90.o libxtb.so.6.5.1.p/src_type_topology.f90.o libxtb.so.6.5.1.p/src_type_wavefunction.f90.o libxtb.so.6.5.1.p/src_type_wignerseitzcell.f90.o libxtb.so.6.5.1.p/src_type_wsc.f90.o libxtb.so.6.5.1.p/src_type_vendordata.f90.o libxtb.so.6.5.1.p/src_solv_ddcosmo_core.f90.o libxtb.so.6.5.1.p/src_solv_ddcosmo_solver.f90.o libxtb.so.6.5.1.p/src_solv_born.f90.o libxtb.so.6.5.1.p/src_solv_cm5.f90.o libxtb.so.6.5.1.p/src_solv_cosmo.f90.o libxtb.so.6.5.1.p/src_solv_gbsa.f90.o libxtb.so.6.5.1.p/src_solv_input.F90.o libxtb.so.6.5.1.p/src_solv_kernel.f90.o libxtb.so.6.5.1.p/src_solv_lebedev.f90.o libxtb.so.6.5.1.p/src_solv_model.f90.o libxtb.so.6.5.1.p/src_solv_sasa.f90.o libxtb.so.6.5.1.p/src_solv_state.f90.o libxtb.so.6.5.1.p/src_xtb_basisset.f90.o libxtb.so.6.5.1.p/src_xtb_calculator.f90.o libxtb.so.6.5.1.p/src_xtb_coulomb.f90.o libxtb.so.6.5.1.p/src_xtb_data.f90.o libxtb.so.6.5.1.p/src_xtb_dispersion.f90.o libxtb.so.6.5.1.p/src_xtb_eeq.f90.o libxtb.so.6.5.1.p/src_xtb_gfn0.f90.o libxtb.so.6.5.1.p/src_xtb_gfn1.f90.o libxtb.so.6.5.1.p/src_xtb_gfn2.f90.o libxtb.so.6.5.1.p/src_xtb_halogen.f90.o libxtb.so.6.5.1.p/src_xtb_hamiltonian.f90.o libxtb.so.6.5.1.p/src_xtb_hamiltonian_gpu.f90.o libxtb.so.6.5.1.p/src_xtb_multipole.f90.o libxtb.so.6.5.1.p/src_xtb_repulsion.F90.o libxtb.so.6.5.1.p/src_xtb_thirdorder.f90.o libxtb.so.6.5.1.p/src_aespot.f90.o libxtb.so.6.5.1.p/src_anharmlib.f90.o libxtb.so.6.5.1.p/src_aoparam.f90.o libxtb.so.6.5.1.p/src_approxrab.f90.o libxtb.so.6.5.1.p/src_axis_trafo.f90.o libxtb.so.6.5.1.p/src_basic_geo.f90.o libxtb.so.6.5.1.p/src_bfgs.f90.o libxtb.so.6.5.1.p/src_bias_path.f90.o libxtb.so.6.5.1.p/src_blowsy.f90.o libxtb.so.6.5.1.p/src_broyden.f90.o libxtb.so.6.5.1.p/src_charge_model.f90.o libxtb.so.6.5.1.p/src_coffee.f90.o libxtb.so.6.5.1.p/src_constrain_param.f90.o libxtb.so.6.5.1.p/src_constrain_pot.f90.o libxtb.so.6.5.1.p/src_constr.f90.o libxtb.so.6.5.1.p/src_cqpath.f90.o libxtb.so.6.5.1.p/src_cube.f90.o libxtb.so.6.5.1.p/src_david2.f90.o libxtb.so.6.5.1.p/src_david.f.o libxtb.so.6.5.1.p/src_define.f90.o libxtb.so.6.5.1.p/src_detrotra.f90.o libxtb.so.6.5.1.p/src_dipole.f90.o libxtb.so.6.5.1.p/src_drsp.f.o libxtb.so.6.5.1.p/src_dtrafo.f90.o libxtb.so.6.5.1.p/src_dynamic.f90.o libxtb.so.6.5.1.p/src_eeq_model.f90.o libxtb.so.6.5.1.p/src_elem.f90.o libxtb.so.6.5.1.p/src_embedding.f90.o libxtb.so.6.5.1.p/src_enso_printout.f90.o libxtb.so.6.5.1.p/src_eqrot.f90.o libxtb.so.6.5.1.p/src_esp.f.o libxtb.so.6.5.1.p/src_expire.f90.o libxtb.so.6.5.1.p/src_filetools.F90.o libxtb.so.6.5.1.p/src_fixparam.f90.o libxtb.so.6.5.1.p/src_foden.f90.o libxtb.so.6.5.1.p/src_fragment.f90.o libxtb.so.6.5.1.p/src_generate_wsc.f90.o libxtb.so.6.5.1.p/src_geoopt_driver.f90.o libxtb.so.6.5.1.p/src_geosum.f90.o libxtb.so.6.5.1.p/src_getkopt.f90.o libxtb.so.6.5.1.p/src_getname.f90.o libxtb.so.6.5.1.p/src_getsymnum.f90.o libxtb.so.6.5.1.p/src_gfn0param.f90.o libxtb.so.6.5.1.p/src_gfn_paramset.f90.o libxtb.so.6.5.1.p/src_gfn_prparam.f90.o libxtb.so.6.5.1.p/src_grad_core.f90.o libxtb.so.6.5.1.p/src_header.f90.o libxtb.so.6.5.1.p/src_hessian.F90.o libxtb.so.6.5.1.p/src_hlex.f90.o libxtb.so.6.5.1.p/src_ifind.f90.o libxtb.so.6.5.1.p/src_iniq.f90.o libxtb.so.6.5.1.p/src_intgrad.f90.o libxtb.so.6.5.1.p/src_intmodes.f90.o libxtb.so.6.5.1.p/src_intpack.f90.o libxtb.so.6.5.1.p/src_lidep.f90.o libxtb.so.6.5.1.p/src_lindh.f90.o libxtb.so.6.5.1.p/src_lin.f90.o libxtb.so.6.5.1.p/src_lin_mod.f90.o libxtb.so.6.5.1.p/src_local.f90.o libxtb.so.6.5.1.p/src_locmode.f90.o libxtb.so.6.5.1.p/src_lopt.f90.o libxtb.so.6.5.1.p/src_ls_rmsd.f90.o libxtb.so.6.5.1.p/src_makel.f90.o libxtb.so.6.5.1.p/src_matinv.f90.o libxtb.so.6.5.1.p/src_mdoptim.f90.o libxtb.so.6.5.1.p/src_metadynamic.f90.o libxtb.so.6.5.1.p/src_modef.f90.o libxtb.so.6.5.1.p/src_model_hessian.f90.o libxtb.so.6.5.1.p/src_neighbor.f90.o libxtb.so.6.5.1.p/src_onetri.f90.o libxtb.so.6.5.1.p/src_oniom.f90.o libxtb.so.6.5.1.p/src_optimizer.f90.o libxtb.so.6.5.1.p/src_pbc.f90.o libxtb.so.6.5.1.p/src_pbc_tools.f90.o libxtb.so.6.5.1.p/src_peeq_module.f90.o libxtb.so.6.5.1.p/src_pocketscan.f90.o libxtb.so.6.5.1.p/src_pqn.f90.o libxtb.so.6.5.1.p/src_printmold.f90.o libxtb.so.6.5.1.p/src_printout.f90.o libxtb.so.6.5.1.p/src_prmat.f90.o libxtb.so.6.5.1.p/src_pseudodiag.f90.o libxtb.so.6.5.1.p/src_qpot.f90.o libxtb.so.6.5.1.p/src_qsort.f90.o libxtb.so.6.5.1.p/src_rdcoord2.f90.o libxtb.so.6.5.1.p/src_read_gfn_param.f90.o libxtb.so.6.5.1.p/src_readin.f90.o libxtb.so.6.5.1.p/src_readl2.f90.o libxtb.so.6.5.1.p/src_readl.f90.o libxtb.so.6.5.1.p/src_relaxation_engine.f90.o libxtb.so.6.5.1.p/src_restart.f90.o libxtb.so.6.5.1.p/src_rmrottr.f90.o libxtb.so.6.5.1.p/src_rmsd.f90.o libxtb.so.6.5.1.p/src_scan_driver.f90.o libxtb.so.6.5.1.p/src_scanparam.f90.o libxtb.so.6.5.1.p/src_scc_core.f90.o libxtb.so.6.5.1.p/src_scf_module.F90.o libxtb.so.6.5.1.p/src_screening.f90.o libxtb.so.6.5.1.p/src_set_module.f90.o libxtb.so.6.5.1.p/src_setparam.f90.o libxtb.so.6.5.1.p/src_shake_module.f90.o libxtb.so.6.5.1.p/src_shiftlp.f90.o libxtb.so.6.5.1.p/src_single.f90.o libxtb.so.6.5.1.p/src_slater.f90.o libxtb.so.6.5.1.p/src_sphereparam.f90.o libxtb.so.6.5.1.p/src_spline2.f90.o libxtb.so.6.5.1.p/src_spline3.f90.o libxtb.so.6.5.1.p/src_splitparam.f90.o libxtb.so.6.5.1.p/src_stm.f.o libxtb.so.6.5.1.p/src_surfac.f.o libxtb.so.6.5.1.p/src_thermo.f90.o libxtb.so.6.5.1.p/src_timing.f90.o libxtb.so.6.5.1.p/src_topology.f90.o libxtb.so.6.5.1.p/src_wrbas.f90.o libxtb.so.6.5.1.p/src_wrgbw.f90.o libxtb.so.6.5.1.p/src_wrmodef.f90.o libxtb.so.6.5.1.p/src_wrmo.f90.o libxtb.so.6.5.1.p/src_xhelp.f90.o libxtb.so.6.5.1.p/src_zmatpr.f90.o libxtb.so.6.5.1.p/symmetry_symmetry.f90.o libxtb.so.6.5.1.p/symmetry_symmetry_i.c.o -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -Wl,--as-needed -Wl,--no-undefined -shared -fPIC -Wl,--start-group -Wl,-soname,libxtb.so.6 -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 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [322/322] gfortran -o test/unit/tester test/unit/tester.p/main.f90.o test/unit/tester.p/molstock.f90.o test/unit/tester.p/test_atomlist.f90.o test/unit/tester.p/test_coordinationnumber.f90.o test/unit/tester.p/test_coulomb.f90.o test/unit/tester.p/test_dftd3.f90.o test/unit/tester.p/test_dftd4.f90.o test/unit/tester.p/test_eeq.f90.o test/unit/tester.p/test_gfn0.f90.o test/unit/tester.p/test_gfn1.f90.o test/unit/tester.p/test_gfn2.f90.o test/unit/tester.p/test_gfnff.f90.o test/unit/tester.p/test_hessian.f90.o test/unit/tester.p/test_latticepoint.f90.o test/unit/tester.p/test_molecule.f90.o test/unit/tester.p/test_pbc_tools.f90.o test/unit/tester.p/test_peeq.f90.o test/unit/tester.p/test_repulsion.f90.o test/unit/tester.p/test_symmetry.f90.o test/unit/tester.p/test_thermo.f90.o test/unit/tester.p/test_wsc.f90.o -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -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 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIE -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so /usr/lib64/libtest-drive.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used INFO: autodetecting backend as ninja INFO: calculating backend command to run: /usr/bin/ninja -C /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build -j 5 -v + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.61LhvQ + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le '!=' / ']' + rm -rf /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le ++ dirname /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -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,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -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 -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.5.1 + DESTDIR=/builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le + /usr/bin/meson install -C redhat-linux-build --no-rebuild Installing libxtb.so.6.5.1 to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/lib64 Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/lib64 Installing xtb to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/bin Installing /builddir/build/BUILD/xtb-6.5.1/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/include/ Installing /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/xtb.1 to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/man/man1 Installing /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/xcontrol.7 to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/man/man7 Installing /builddir/build/BUILD/xtb-6.5.1/param_gfn0-xtb.txt to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/param_gfn2-xtb.txt to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/param_gfn1-xtb.txt to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/param_gfn1-si-xtb.txt to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/param_ipea-xtb.txt to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/assets/config_env.bash to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/assets/config_env.csh to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/assets/xtb.pc to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/lib64/pkgconfig Installing /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/assets/xtb.tcl to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/modules/modulefiles/xtb Installing symlink pointing to libxtb.so.6.5.1 to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/lib64/libxtb.so.6 Installing symlink pointing to libxtb.so.6 to /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/lib64/libxtb.so + rm /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/lib64/libxtb.a + rm -rf /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/modules + mkdir -p /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/etc/profile.d + cat + cat + /usr/bin/find-debuginfo -j5 --strict-build-id -m -i --build-id-seed 6.5.1-1.fc38 --unique-debug-suffix -6.5.1-1.fc38.ppc64le --unique-debug-src-base xtb-6.5.1-1.fc38.ppc64le --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.5.1 extracting debug info from /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/bin/xtb extracting debug info from /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/lib64/libxtb.so.6.5.1 original debug info size: 14208kB, size after compression: 12416kB /usr/bin/sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match. cpio: redhat-linux-build/param_alpb_acetone.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_acetonitrile.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_aniline.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_benzaldehyde.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_benzene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ch2cl2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_chcl3.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_cs2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dioxane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dmf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dmso.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ethanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ether.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ethylacetate.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_furane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_hexadecane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_hexane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_methanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_nitromethane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_octanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_phenol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_thf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_toluene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_water.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_woctanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_acetone.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_acetonitrile.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_benzene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_ch2cl2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_chcl3.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_cs2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_dmf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_dmso.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_ether.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_h2o.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_methanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_nhexan.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_thf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_toluene.fh: Cannot stat: No such file or directory 11497 blocks + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/check-rpaths + /usr/lib/rpm/redhat/brp-mangle-shebangs mangling shebang in /usr/share/xtb/config_env.csh from /bin/csh to #!/usr/bin/csh mangling shebang in /usr/share/xtb/config_env.bash from /bin/bash to #!/usr/bin/bash + /usr/lib/rpm/brp-remove-la-files + /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.fSRDpu + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -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,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -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 -Werror=format-security -Wp,-D_FORTIFY_SOURCE=2 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.5.1 ++ hostname + export HOSTNAME=e9b54e20ab934d4cb0c50492783c2919 + HOSTNAME=e9b54e20ab934d4cb0c50492783c2919 + export OMP_NUM_THREADS=1 + OMP_NUM_THREADS=1 + /usr/bin/meson test -C redhat-linux-build --num-processes 5 --print-errorlogs --timeout-multiplier=10 ninja: no work to do. ninja: Entering directory `/builddir/build/BUILD/xtb-6.5.1/redhat-linux-build' ninja: no work to do. 1/25 xtb:unit / atomlist OK 0.01s 2/25 xtb / C API OK 0.08s 3/25 xtb:unit / coordinationnumber OK 0.11s 4/25 xtb:unit / eeq OK 0.09s 5/25 xtb:unit / gfn0 OK 0.38s 6/25 xtb:unit / coulomb OK 1.02s 7/25 xtb:unit / gfnff OK 0.28s 8/25 xtb:unit / hessian OK 0.05s 9/25 xtb:unit / latticepoint OK 0.01s 10/25 xtb:unit / molecule OK 0.01s 11/25 xtb:unit / pbc-tools OK 0.01s 12/25 xtb:unit / peeq OK 0.17s 13/25 xtb:unit / dftd3 OK 1.81s 14/25 xtb:unit / gfn2 OK 1.33s 15/25 xtb:unit / dftd4 OK 1.82s 16/25 xtb:unit / thermo OK 0.01s 17/25 xtb:unit / gfn1 OK 1.67s 18/25 xtb:unit / wsc OK 0.02s 19/25 xtb / Argparser print version OK 0.01s 20/25 xtb / Argparser print help OK 0.01s 21/25 xtb / Argparser print license OK 0.01s 22/25 xtb / Info OK 0.01s 23/25 xtb:unit / symmetry OK 0.10s 24/25 xtb / Argparser no arguments EXPECTEDFAIL 0.08s exit status 1 25/25 xtb:unit / repulsion OK 0.45s Ok: 24 Expected Fail: 1 Fail: 0 Unexpected Pass: 0 Skipped: 0 Timeout: 0 Full log written to /builddir/build/BUILD/xtb-6.5.1/redhat-linux-build/meson-logs/testlog.txt + RPM_EC=0 ++ jobs -p + exit 0 Processing files: xtb-6.5.1-1.fc38.ppc64le Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.IyGpCh + umask 022 + cd /builddir/build/BUILD + cd xtb-6.5.1 + DOCDIR=/builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/doc/xtb + export LC_ALL=C + LC_ALL=C + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/doc/xtb + cp -pr README.md /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/doc/xtb + cp -pr CONTRIBUTING.md /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/doc/xtb + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.yeWPh9 + umask 022 + cd /builddir/build/BUILD + cd xtb-6.5.1 + LICENSEDIR=/builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb + cp -pr COPYING /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb + cp -pr COPYING.LESSER /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb + cp -pr README.md /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb + RPM_EC=0 ++ jobs -p + exit 0 Provides: xtb = 6.5.1-1.fc38 xtb(ppc-64) = 6.5.1-1.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libflexiblas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(GOMP_5.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmctc-lib.so.0()(64bit) rtld(GNU_HASH) Processing files: xtb-data-6.5.1-1.fc38.noarch Provides: xtb-data = 6.5.1-1.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/bash /usr/bin/csh Processing files: xtb-libs-6.5.1-1.fc38.ppc64le Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.9OEQgv + umask 022 + cd /builddir/build/BUILD + cd xtb-6.5.1 + LICENSEDIR=/builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb-libs + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb-libs + cp -pr COPYING /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb-libs + cp -pr COPYING.LESSER /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb-libs + cp -pr README.md /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le/usr/share/licenses/xtb-libs + RPM_EC=0 ++ jobs -p + exit 0 Provides: libxtb.so.6()(64bit) xtb-libs = 6.5.1-1.fc38 xtb-libs(ppc-64) = 6.5.1-1.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libflexiblas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(GOMP_5.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmctc-lib.so.0()(64bit) rtld(GNU_HASH) Processing files: xtb-devel-6.5.1-1.fc38.ppc64le Provides: pkgconfig(xtb) = 6.5.1 xtb-devel = 6.5.1-1.fc38 xtb-devel(ppc-64) = 6.5.1-1.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/pkg-config libxtb.so.6()(64bit) Processing files: xtb-debugsource-6.5.1-1.fc38.ppc64le Provides: xtb-debugsource = 6.5.1-1.fc38 xtb-debugsource(ppc-64) = 6.5.1-1.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: xtb-debuginfo-6.5.1-1.fc38.ppc64le Provides: debuginfo(build-id) = ba598d388a5a906866853c35446c84616d6719c9 xtb-debuginfo = 6.5.1-1.fc38 xtb-debuginfo(ppc-64) = 6.5.1-1.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: xtb-debugsource(ppc-64) = 6.5.1-1.fc38 Processing files: xtb-libs-debuginfo-6.5.1-1.fc38.ppc64le Provides: debuginfo(build-id) = b8285f0e447e13b3c707e44aaaadce43daf7dff6 libxtb.so.6.5.1-6.5.1-1.fc38.ppc64le.debug()(64bit) xtb-libs-debuginfo = 6.5.1-1.fc38 xtb-libs-debuginfo(ppc-64) = 6.5.1-1.fc38 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: xtb-debugsource(ppc-64) = 6.5.1-1.fc38 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le Wrote: /builddir/build/RPMS/xtb-6.5.1-1.fc38.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-data-6.5.1-1.fc38.noarch.rpm Wrote: /builddir/build/RPMS/xtb-devel-6.5.1-1.fc38.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-debuginfo-6.5.1-1.fc38.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-libs-6.5.1-1.fc38.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-debugsource-6.5.1-1.fc38.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-libs-debuginfo-6.5.1-1.fc38.ppc64le.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.Tciptq + umask 022 + cd /builddir/build/BUILD + cd xtb-6.5.1 + /usr/bin/rm -rf /builddir/build/BUILDROOT/xtb-6.5.1-1.fc38.ppc64le + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.6Bbna9 + umask 022 + cd /builddir/build/BUILD + rm -rf xtb-6.5.1 xtb-6.5.1.gemspec + RPM_EC=0 ++ jobs -p + exit 0 Finish: rpmbuild xtb-6.5.1-1.fc38.src.rpm Finish: build phase for xtb-6.5.1-1.fc38.src.rpm INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/root/var/log/dnf.rpm.log /var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/root/var/log/dnf.librepo.log /var/lib/mock/fedora-rawhide-ppc64le-1672378150.983452/root/var/log/dnf.log INFO: Done(/var/lib/copr-rpmbuild/results/xtb-6.5.1-1.fc38.src.rpm) Config(child) 2 minutes 59 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