Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c28b' (ED25519) to the list of known hosts. You can reproduce this build on your computer by running: sudo dnf install copr-rpmbuild /usr/bin/copr-rpmbuild --verbose --drop-resultdir --task-url https://copr.fedorainfracloud.org/backend/get-build-task/9587409-fedora-42-ppc64le --chroot fedora-42-ppc64le Version: 1.5 PID: 3922 Logging PID: 3924 Task: {'allow_user_ssh': False, 'appstream': False, 'background': True, 'build_id': 9587409, 'buildroot_pkgs': [], 'chroot': 'fedora-42-ppc64le', 'enable_net': False, 'fedora_review': False, 'git_hash': 'd44daf5b2af668e8f65fc6e5de9362747b343dbe', 'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/xtb', 'isolation': 'default', 'memory_reqs': 2048, 'package_name': 'xtb', 'package_version': '6.7.1-5', 'project_dirname': 'openblas-0.3.23', 'project_name': 'openblas-0.3.23', 'project_owner': 'psimovec', 'repo_priority': None, 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/psimovec/openblas-0.3.23/fedora-42-ppc64le/', 'id': 'copr_base', 'name': 'Copr repository', 'priority': None}, {'baseurl': 'http://kojipkgs.fedoraproject.org/repos/rawhide/latest/$basearch/', 'id': 'http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch', 'name': 'Additional repo http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch'}], 'sandbox': 'psimovec/openblas-0.3.23--https://src.fedoraproject.org/user/jussilehtola', 'source_json': {}, 'source_type': None, 'ssh_public_keys': None, 'storage': None, 'submitter': 'https://src.fedoraproject.org/user/jussilehtola', 'tags': [], 'task_id': '9587409-fedora-42-ppc64le', 'timeout': 18000, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/xtb /var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb --depth 500 --no-single-branch --recursive cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/xtb', '/var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb'... Running: git checkout d44daf5b2af668e8f65fc6e5de9362747b343dbe -- cmd: ['git', 'checkout', 'd44daf5b2af668e8f65fc6e5de9362747b343dbe', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb rc: 0 stdout: stderr: Note: switching to 'd44daf5b2af668e8f65fc6e5de9362747b343dbe'. 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 d44daf5 automatic import of xtb Running: dist-git-client sources cmd: ['dist-git-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/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-6.7.1.tar.gz INFO: Reading stdout from command: curl --help all INFO: Calling: curl -H Pragma: -o xtb-6.7.1.tar.gz --location --connect-timeout 60 --retry 3 --retry-delay 10 --remote-time --show-error --fail --retry-all-errors https://copr-dist-git.fedorainfracloud.org/repo/pkgs/psimovec/openblas-0.3.23/xtb/xtb-6.7.1.tar.gz/md5/d6f6d393999461c23e555b9ba875dd38/xtb-6.7.1.tar.gz % Total % Received % Xferd Average Speed Time Time Time Current Dload Upload Total Spent Left Speed 100 1639k 100 1639k 0 0 11.1M 0 --:--:-- --:--:-- --:--:-- 11.1M INFO: Reading stdout from command: md5sum xtb-6.7.1.tar.gz tail: /var/lib/copr-rpmbuild/main.log: file truncated Running (timeout=18000): unbuffer mock --spec /var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb/xtb.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1758462720.092472 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 6.3 starting (python version = 3.13.7, NVR = mock-6.3-1.fc42), args: /usr/libexec/mock/mock --spec /var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb/xtb.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1758462720.092472 -r /var/lib/copr-rpmbuild/results/configs/child.cfg 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-oqa4sjsn/xtb/xtb.spec) Config(fedora-42-ppc64le) Start: clean chroot Finish: clean chroot Mock Version: 6.3 INFO: Mock Version: 6.3 Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-42-ppc64le-bootstrap-1758462720.092472/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata INFO: Guessed host environment type: unknown INFO: Using container image: registry.fedoraproject.org/fedora:42 INFO: Pulling image: registry.fedoraproject.org/fedora:42 INFO: Tagging container image as mock-bootstrap-a4729fe5-8a04-4ecf-beaa-27457a3e54ac INFO: Checking that b15a7f65cb9824c34297d797ea31237cb50a0a910a2c938d64cdf1ce3baec648 image matches host's architecture INFO: Copy content of container b15a7f65cb9824c34297d797ea31237cb50a0a910a2c938d64cdf1ce3baec648 to /var/lib/mock/fedora-42-ppc64le-bootstrap-1758462720.092472/root INFO: mounting b15a7f65cb9824c34297d797ea31237cb50a0a910a2c938d64cdf1ce3baec648 with podman image mount INFO: image b15a7f65cb9824c34297d797ea31237cb50a0a910a2c938d64cdf1ce3baec648 as /var/lib/containers/storage/overlay/a58b23ca5176cfe1ac4486a374c1b906628b3580d532393f6abeb66fcf4f9b6f/merged INFO: umounting image b15a7f65cb9824c34297d797ea31237cb50a0a910a2c938d64cdf1ce3baec648 (/var/lib/containers/storage/overlay/a58b23ca5176cfe1ac4486a374c1b906628b3580d532393f6abeb66fcf4f9b6f/merged) with podman image umount INFO: Removing image mock-bootstrap-a4729fe5-8a04-4ecf-beaa-27457a3e54ac INFO: Package manager dnf5 detected and used (fallback) INFO: Not updating bootstrap chroot, bootstrap_image_ready=True 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-42-ppc64le-1758462720.092472/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin INFO: Package manager dnf5 detected and used (direct choice) INFO: Buildroot is handled by package management downloaded with a bootstrap image: rpm-4.20.1-1.fc42.ppc64le rpm-sequoia-1.7.0-5.fc42.ppc64le dnf5-5.2.16.0-1.fc42.ppc64le dnf5-plugins-5.2.16.0-1.fc42.ppc64le Start: installing minimal buildroot with dnf5 Updating and loading repositories: Copr repository 100% | 10.1 MiB/s | 3.2 MiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 8.3 MiB/s | 14.0 MiB | 00m02s fedora 100% | 11.5 MiB/s | 33.3 MiB | 00m03s updates 100% | 6.9 MiB/s | 20.0 MiB | 00m03s Repositories loaded. Package Arch Version Repository Size Installing group/module packages: bash ppc64le 5.3.0-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.9 MiB bzip2 ppc64le 1.0.8-21.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 171.2 KiB coreutils ppc64le 9.7-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.4 MiB cpio ppc64le 2.15-6.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 MiB diffutils ppc64le 3.12-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB fedora-release-common noarch 44-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 20.4 KiB findutils ppc64le 1:4.10.0-6.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.0 MiB gawk ppc64le 5.3.2-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.8 MiB glibc-minimal-langpack ppc64le 2.42.9000-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B grep ppc64le 3.12-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB gzip ppc64le 1.14-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 437.6 KiB info ppc64le 7.2-6.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 485.5 KiB patch ppc64le 2.8-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 262.5 KiB redhat-rpm-config noarch 343-13.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 183.2 KiB rpm-build ppc64le 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 661.3 KiB sed ppc64le 4.9-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 937.1 KiB shadow-utils ppc64le 2:4.18.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.8 MiB tar ppc64le 2:1.35-6.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.1 MiB unzip ppc64le 6.0-68.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 533.9 KiB util-linux ppc64le 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http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.9 KiB fedora-repos-rawhide noarch 44-0.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.2 KiB file ppc64le 5.46-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 140.1 KiB file-libs ppc64le 5.46-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11.9 MiB filesystem ppc64le 3.18-50.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 112.0 B filesystem-srpm-macros noarch 3.18-50.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 38.2 KiB fonts-srpm-macros noarch 1:2.0.5-23.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 55.8 KiB forge-srpm-macros noarch 0.4.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 38.9 KiB fpc-srpm-macros noarch 1.3-15.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 144.0 B gap-srpm-macros noarch 1-1.fc44 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http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 69.1 KiB pyproject-srpm-macros noarch 1.18.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 KiB python-srpm-macros noarch 3.14-7.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 51.5 KiB qt5-srpm-macros noarch 5.15.17-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 500.0 B qt6-srpm-macros noarch 6.9.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 464.0 B readline ppc64le 8.3-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 627.5 KiB rpm ppc64le 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.2 MiB rpm-build-libs ppc64le 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 328.0 KiB rpm-libs ppc64le 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 MiB rpm-plugin-selinux ppc64le 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 67.9 KiB rpm-sequoia ppc64le 1.9.0-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.9 MiB rpm-sign-libs ppc64le 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 67.6 KiB rust-srpm-macros noarch 26.4-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.8 KiB selinux-policy noarch 42.9-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 31.7 KiB selinux-policy-targeted noarch 42.9-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18.6 MiB setup noarch 2.15.0-26.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 725.0 KiB sqlite-libs ppc64le 3.50.2-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 MiB systemd-libs ppc64le 258-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.0 MiB systemd-standalone-sysusers ppc64le 258-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 393.5 KiB tpm2-tss ppc64le 4.1.3-8.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.5 MiB tree-sitter-srpm-macros noarch 0.4.2-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.3 KiB util-linux-core ppc64le 2.41.1-17.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.5 MiB xxhash-libs ppc64le 0.8.3-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 85.6 KiB xz-libs ppc64le 1:5.8.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 265.3 KiB zig-srpm-macros noarch 1-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 KiB zip ppc64le 3.0-44.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 889.8 KiB zlib-ng-compat ppc64le 2.2.5-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 197.4 KiB zstd ppc64le 1.5.7-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 MiB Installing groups: Buildsystem building group Transaction Summary: Installing: 177 packages Total size of inbound packages is 71 MiB. Need to download 71 MiB. After this operation, 278 MiB extra will be used (install 278 MiB, remove 0 B). [ 1/177] bzip2-0:1.0.8-21.fc43.ppc64le 100% | 320.5 KiB/s | 52.9 KiB | 00m00s [ 2/177] cpio-0:2.15-6.fc43.ppc64le 100% | 2.4 MiB/s | 293.8 KiB | 00m00s [ 3/177] bash-0:5.3.0-2.fc43.ppc64le 100% | 5.6 MiB/s | 1.9 MiB | 00m00s [ 4/177] diffutils-0:3.12-3.fc43.ppc64 100% | 4.7 MiB/s | 396.4 KiB | 00m00s [ 5/177] fedora-release-common-0:44-0. 100% | 610.5 KiB/s | 25.0 KiB | 00m00s [ 6/177] coreutils-0:9.7-5.fc43.ppc64l 100% | 2.9 MiB/s | 1.2 MiB | 00m00s [ 7/177] findutils-1:4.10.0-6.fc43.ppc 100% | 6.8 MiB/s | 578.5 KiB | 00m00s [ 8/177] gawk-0:5.3.2-2.fc43.ppc64le 100% | 16.3 MiB/s | 1.2 MiB | 00m00s [ 9/177] glibc-minimal-langpack-0:2.42 100% | 1.0 MiB/s | 45.7 KiB | 00m00s [ 10/177] grep-0:3.12-2.fc43.ppc64le 100% | 7.0 MiB/s | 299.2 KiB | 00m00s [ 11/177] gzip-0:1.14-1.fc44.ppc64le 100% | 4.1 MiB/s | 172.6 KiB | 00m00s [ 12/177] info-0:7.2-6.fc43.ppc64le 100% | 4.5 MiB/s | 202.9 KiB | 00m00s [ 13/177] patch-0:2.8-2.fc43.ppc64le 100% | 2.8 MiB/s | 123.9 KiB | 00m00s [ 14/177] redhat-rpm-config-0:343-13.fc 100% | 1.7 MiB/s | 73.1 KiB | 00m00s [ 15/177] rpm-build-0:5.99.92-2.fc44.pp 100% | 3.5 MiB/s | 150.3 KiB | 00m00s [ 16/177] sed-0:4.9-5.fc43.ppc64le 100% | 7.0 MiB/s | 314.2 KiB | 00m00s [ 17/177] tar-2:1.35-6.fc43.ppc64le 100% | 11.9 MiB/s | 875.3 KiB | 00m00s [ 18/177] unzip-0:6.0-68.fc44.ppc64le 100% | 4.4 MiB/s | 192.3 KiB | 00m00s [ 19/177] shadow-utils-2:4.18.0-3.fc43. 100% | 12.1 MiB/s | 1.2 MiB | 00m00s [ 20/177] util-linux-0:2.41.1-17.fc44.p 100% | 20.0 MiB/s | 1.2 MiB | 00m00s [ 21/177] which-0:2.23-3.fc43.ppc64le 100% | 781.9 KiB/s | 43.0 KiB | 00m00s [ 22/177] xz-1:5.8.1-2.fc43.ppc64le 100% | 7.9 MiB/s | 561.1 KiB | 00m00s [ 23/177] glibc-0:2.42.9000-5.fc44.ppc6 100% | 30.1 MiB/s | 3.1 MiB | 00m00s [ 24/177] fedora-repos-0:44-0.1.noarch 100% | 129.6 KiB/s | 9.1 KiB | 00m00s [ 25/177] coreutils-common-0:9.7-5.fc43 100% | 17.1 MiB/s | 2.1 MiB | 00m00s [ 26/177] gap-srpm-macros-0:1-1.fc44.no 100% | 179.3 KiB/s | 8.6 KiB | 00m00s [ 27/177] glibc-common-0:2.42.9000-5.fc 100% | 6.4 MiB/s | 340.9 KiB | 00m00s [ 28/177] rpm-0:5.99.92-2.fc44.ppc64le 100% | 10.4 MiB/s | 534.3 KiB | 00m00s [ 29/177] libblkid-0:2.41.1-17.fc44.ppc 100% | 2.9 MiB/s | 143.0 KiB | 00m00s [ 30/177] liblastlog2-0:2.41.1-17.fc44. 100% | 592.0 KiB/s | 24.3 KiB | 00m00s [ 31/177] libmount-0:2.41.1-17.fc44.ppc 100% | 4.2 MiB/s | 187.4 KiB | 00m00s [ 32/177] libsmartcols-0:2.41.1-17.fc44 100% | 2.4 MiB/s | 110.8 KiB | 00m00s [ 33/177] libuuid-0:2.41.1-17.fc44.ppc6 100% | 663.5 KiB/s | 27.9 KiB | 00m00s [ 34/177] util-linux-core-0:2.41.1-17.f 100% | 11.5 MiB/s | 576.5 KiB | 00m00s [ 35/177] java-srpm-macros-0:1-7.fc43.n 100% | 1.6 KiB/s | 7.9 KiB | 00m05s [ 36/177] libfdisk-0:2.41.1-17.fc44.ppc 100% | 17.6 KiB/s | 177.5 KiB | 00m10s [ 37/177] fedora-gpg-keys-0:44-0.1.noar 100% | 3.0 MiB/s | 127.7 KiB | 00m00s [ 38/177] fedora-repos-rawhide-0:44-0.1 100% | 201.1 KiB/s | 8.6 KiB | 00m00s [ 39/177] xz-libs-1:5.8.1-2.fc43.ppc64l 100% | 12.6 KiB/s | 126.8 KiB | 00m10s [ 40/177] rpm-sequoia-0:1.9.0-2.fc43.pp 100% | 13.9 MiB/s | 1.6 MiB | 00m00s [ 41/177] rpm-build-libs-0:5.99.92-2.fc 100% | 3.1 MiB/s | 134.2 KiB | 00m00s [ 42/177] rpm-sign-libs-0:5.99.92-2.fc4 100% | 667.4 KiB/s | 28.7 KiB | 00m00s [ 43/177] filesystem-0:3.18-50.fc43.ppc 100% | 20.6 MiB/s | 1.3 MiB | 00m00s [ 44/177] libgcc-0:15.2.1-1.fc44.1.ppc6 100% | 2.7 MiB/s | 114.4 KiB | 00m00s [ 45/177] libselinux-0:3.9-5.fc44.ppc64 100% | 2.7 MiB/s | 112.5 KiB | 00m00s [ 46/177] libsepol-0:3.9-2.fc43.ppc64le 100% | 7.9 MiB/s | 380.8 KiB | 00m00s [ 47/177] libxcrypt-0:4.4.38-9.fc44.ppc 100% | 2.9 MiB/s | 139.6 KiB | 00m00s [ 48/177] ncurses-libs-0:6.5-7.20250614 100% | 7.8 MiB/s | 383.4 KiB | 00m00s [ 49/177] ncurses-base-0:6.5-7.20250614 100% | 1.4 MiB/s | 63.7 KiB | 00m00s [ 50/177] glibc-gconv-extra-0:2.42.9000 100% | 162.7 KiB/s | 1.6 MiB | 00m10s [ 51/177] audit-libs-0:4.1.2-2.fc44.ppc 100% | 3.4 MiB/s | 155.1 KiB | 00m00s [ 52/177] libcap-ng-0:0.8.5-8.fc44.ppc6 100% | 777.2 KiB/s | 33.4 KiB | 00m00s [ 53/177] librtas-0:2.0.6-4.fc43.ppc64l 100% | 1.7 MiB/s | 80.9 KiB | 00m00s [ 54/177] pam-libs-0:1.7.1-3.fc43.ppc64 100% | 1.4 MiB/s | 63.6 KiB | 00m00s [ 55/177] rpm-libs-0:5.99.92-2.fc44.ppc 100% | 86.3 KiB/s | 444.2 KiB | 00m05s [ 56/177] readline-0:8.3-2.fc43.ppc64le 100% | 5.5 MiB/s | 243.7 KiB | 00m00s [ 57/177] zlib-ng-compat-0:2.2.5-2.fc44 100% | 1.3 MiB/s | 81.0 KiB | 00m00s [ 58/177] bzip2-libs-0:1.0.8-21.fc43.pp 100% | 1.2 MiB/s | 49.3 KiB | 00m00s [ 59/177] libacl-0:2.3.2-4.fc43.ppc64le 100% | 647.2 KiB/s | 26.5 KiB | 00m00s [ 60/177] libcap-0:2.76-3.fc44.ppc64le 100% | 2.3 MiB/s | 94.7 KiB | 00m00s [ 61/177] libeconf-0:0.7.9-2.fc43.ppc64 100% | 1.0 MiB/s | 40.3 KiB | 00m00s [ 62/177] libsemanage-0:3.9-4.fc44.ppc6 100% | 3.1 MiB/s | 135.2 KiB | 00m00s [ 63/177] setup-0:2.15.0-26.fc43.noarch 100% | 3.4 MiB/s | 151.2 KiB | 00m00s [ 64/177] gnupg2-0:2.4.8-4.fc43.ppc64le 100% | 23.5 MiB/s | 1.7 MiB | 00m00s [ 65/177] gpgverify-0:2.2-3.fc43.noarch 100% | 264.4 KiB/s | 11.1 KiB | 00m00s [ 66/177] gnupg2-dirmngr-0:2.4.8-4.fc43 100% | 6.4 MiB/s | 315.9 KiB | 00m00s [ 67/177] gnupg2-gpg-agent-0:2.4.8-4.fc 100% | 6.5 MiB/s | 306.0 KiB | 00m00s [ 68/177] gnupg2-gpgconf-0:2.4.8-4.fc43 100% | 3.0 MiB/s | 125.0 KiB | 00m00s [ 69/177] gnupg2-keyboxd-0:2.4.8-4.fc43 100% | 2.5 MiB/s | 103.4 KiB | 00m00s [ 70/177] gnupg2-verify-0:2.4.8-4.fc43. 100% | 4.0 MiB/s | 185.9 KiB | 00m00s [ 71/177] ima-evm-utils-libs-0:1.6.2-6. 100% | 684.6 KiB/s | 30.1 KiB | 00m00s [ 72/177] libfsverity-0:1.6-3.fc43.ppc6 100% | 466.4 KiB/s | 19.1 KiB | 00m00s [ 73/177] libstdc++-0:15.2.1-1.fc44.1.p 100% | 17.8 MiB/s | 1.0 MiB | 00m00s [ 74/177] popt-0:1.19-9.fc43.ppc64le 100% | 1.6 MiB/s | 63.7 KiB | 00m00s [ 75/177] libzstd-0:1.5.7-2.fc43.ppc64l 100% | 7.0 MiB/s | 356.9 KiB | 00m00s [ 76/177] openssl-libs-1:3.5.1-3.fc44.p 100% | 29.7 MiB/s | 2.7 MiB | 00m00s [ 77/177] lua-libs-0:5.4.8-2.fc43.ppc64 100% | 3.4 MiB/s | 148.5 KiB | 00m00s [ 78/177] sqlite-libs-0:3.50.2-2.fc43.p 100% | 15.7 MiB/s | 870.0 KiB | 00m00s [ 79/177] elfutils-libelf-0:0.193-3.fc4 100% | 3.9 MiB/s | 216.2 KiB | 00m00s [ 80/177] elfutils-libs-0:0.193-3.fc43. 100% | 6.4 MiB/s | 310.0 KiB | 00m00s [ 81/177] elfutils-0:0.193-3.fc43.ppc64 100% | 11.1 MiB/s | 566.0 KiB | 00m00s [ 82/177] elfutils-debuginfod-client-0: 100% | 1.2 MiB/s | 49.9 KiB | 00m00s [ 83/177] file-libs-0:5.46-8.fc44.ppc64 100% | 15.9 MiB/s | 862.1 KiB | 00m00s [ 84/177] systemd-libs-0:258-1.fc44.ppc 100% | 170.6 KiB/s | 882.8 KiB | 00m05s [ 85/177] file-0:5.46-8.fc44.ppc64le 100% | 1.0 MiB/s | 49.7 KiB | 00m00s [ 86/177] libgomp-0:15.2.1-1.fc44.1.ppc 100% | 7.4 MiB/s | 388.6 KiB | 00m00s [ 87/177] debugedit-0:5.2-3.fc44.ppc64l 100% | 692.7 KiB/s | 89.4 KiB | 00m00s [ 88/177] binutils-0:2.45.50-3.fc44.ppc 100% | 35.4 MiB/s | 6.6 MiB | 00m00s [ 89/177] pkgconf-pkg-config-0:2.3.0-3. 100% | 167.3 KiB/s | 9.5 KiB | 00m00s [ 90/177] libarchive-0:3.8.1-3.fc43.ppc 100% | 3.3 MiB/s | 494.2 KiB | 00m00s [ 91/177] pkgconf-0:2.3.0-3.fc43.ppc64l 100% | 1.1 MiB/s | 45.2 KiB | 00m00s [ 92/177] pkgconf-m4-0:2.3.0-3.fc43.noa 100% | 339.3 KiB/s | 13.9 KiB | 00m00s [ 93/177] libpkgconf-0:2.3.0-3.fc43.ppc 100% | 1.1 MiB/s | 42.9 KiB | 00m00s [ 94/177] ansible-srpm-macros-0:1-18.1. 100% | 452.4 KiB/s | 19.9 KiB | 00m00s [ 95/177] zstd-0:1.5.7-2.fc43.ppc64le 100% | 9.9 MiB/s | 527.4 KiB | 00m00s [ 96/177] curl-0:8.16.0-1.fc44.ppc64le 100% | 4.7 MiB/s | 244.9 KiB | 00m00s [ 97/177] build-reproducibility-srpm-ma 100% | 334.8 KiB/s | 12.7 KiB | 00m00s [ 98/177] linkdupes-0:0.7.2-1.fc44.ppc6 100% | 6.9 MiB/s | 387.3 KiB | 00m00s [ 99/177] add-determinism-0:0.7.2-1.fc4 100% | 14.1 MiB/s | 924.9 KiB | 00m00s [100/177] dwz-0:0.16-2.fc43.ppc64le 100% | 3.3 MiB/s | 145.5 KiB | 00m00s [101/177] efi-srpm-macros-0:6-4.fc43.no 100% | 546.2 KiB/s | 22.4 KiB | 00m00s [102/177] filesystem-srpm-macros-0:3.18 100% | 677.3 KiB/s | 26.4 KiB | 00m00s [103/177] fonts-srpm-macros-1:2.0.5-23. 100% | 696.7 KiB/s | 27.2 KiB | 00m00s [104/177] forge-srpm-macros-0:0.4.0-3.f 100% | 515.1 KiB/s | 20.1 KiB | 00m00s [105/177] fpc-srpm-macros-0:1.3-15.fc43 100% | 197.3 KiB/s | 7.9 KiB | 00m00s [106/177] ghc-srpm-macros-0:1.9.2-3.fc4 100% | 224.3 KiB/s | 8.7 KiB | 00m00s [107/177] gnat-srpm-macros-0:6-8.fc43.n 100% | 229.4 KiB/s | 8.5 KiB | 00m00s [108/177] kernel-srpm-macros-0:1.0-27.f 100% | 228.7 KiB/s | 8.9 KiB | 00m00s [109/177] ocaml-srpm-macros-0:11-2.fc43 100% | 243.7 KiB/s | 9.3 KiB | 00m00s [110/177] openblas-srpm-macros-0:2-20.f 100% | 199.9 KiB/s | 7.6 KiB | 00m00s [111/177] package-notes-srpm-macros-0:0 100% | 230.4 KiB/s | 9.0 KiB | 00m00s [112/177] perl-srpm-macros-0:1-60.fc43. 100% | 207.2 KiB/s | 8.3 KiB | 00m00s [113/177] go-srpm-macros-0:3.8.0-1.fc44 100% | 5.6 KiB/s | 28.3 KiB | 00m05s [114/177] lua-srpm-macros-0:1-16.fc43.n 100% | 1.7 KiB/s | 8.8 KiB | 00m05s [115/177] python-srpm-macros-0:3.14-7.f 100% | 548.3 KiB/s | 23.6 KiB | 00m00s [116/177] qt5-srpm-macros-0:5.15.17-2.f 100% | 222.1 KiB/s | 8.7 KiB | 00m00s [117/177] rust-srpm-macros-0:26.4-1.fc4 100% | 272.2 KiB/s | 11.2 KiB | 00m00s [118/177] tree-sitter-srpm-macros-0:0.4 100% | 342.3 KiB/s | 13.4 KiB | 00m00s [119/177] zig-srpm-macros-0:1-5.fc43.no 100% | 222.0 KiB/s | 8.4 KiB | 00m00s [120/177] pyproject-srpm-macros-0:1.18. 100% | 2.7 KiB/s | 13.7 KiB | 00m05s [121/177] zip-0:3.0-44.fc43.ppc64le 100% | 3.3 MiB/s | 275.0 KiB | 00m00s [122/177] ed-0:1.22.2-1.fc44.ppc64le 100% | 1.0 MiB/s | 86.5 KiB | 00m00s [123/177] ca-certificates-0:2025.2.80_v 100% | 9.2 MiB/s | 973.8 KiB | 00m00s [124/177] crypto-policies-0:20250714-5. 100% | 1.8 MiB/s | 75.1 KiB | 00m00s [125/177] pcre2-0:10.46-1.fc44.ppc64le 100% | 5.8 MiB/s | 274.5 KiB | 00m00s [126/177] pcre2-syntax-0:10.46-1.fc44.n 100% | 3.7 MiB/s | 162.2 KiB | 00m00s [127/177] libxml2-0:2.12.10-5.fc44.ppc6 100% | 14.3 MiB/s | 776.5 KiB | 00m00s [128/177] lz4-libs-0:1.10.0-3.fc43.ppc6 100% | 2.4 MiB/s | 103.0 KiB | 00m00s [129/177] tpm2-tss-0:4.1.3-8.fc43.ppc64 100% | 8.4 MiB/s | 394.8 KiB | 00m00s [130/177] libassuan-0:2.5.7-4.fc43.ppc6 100% | 1.7 MiB/s | 71.5 KiB | 00m00s [131/177] libgcrypt-0:1.11.1-2.fc43.ppc 100% | 13.3 MiB/s | 666.2 KiB | 00m00s [132/177] libgpg-error-0:1.55-2.fc43.pp 100% | 5.7 MiB/s | 251.8 KiB | 00m00s [133/177] npth-0:1.8-3.fc43.ppc64le 100% | 645.7 KiB/s | 25.2 KiB | 00m00s [134/177] libksba-0:1.6.7-4.fc43.ppc64l 100% | 3.8 MiB/s | 177.7 KiB | 00m00s [135/177] gnutls-0:3.8.10-5.fc44.ppc64l 100% | 19.9 MiB/s | 1.4 MiB | 00m00s [136/177] openldap-0:2.6.10-4.fc44.ppc6 100% | 6.3 MiB/s | 289.5 KiB | 00m00s [137/177] gmp-1:6.3.0-4.fc44.ppc64le 100% | 7.1 MiB/s | 321.0 KiB | 00m00s [138/177] mpfr-0:4.2.2-2.fc43.ppc64le 100% | 8.2 MiB/s | 362.2 KiB | 00m00s [139/177] elfutils-default-yama-scope-0 100% | 318.6 KiB/s | 12.4 KiB | 00m00s [140/177] json-c-0:0.18-7.fc43.ppc64le 100% | 1.2 MiB/s | 49.5 KiB | 00m00s [141/177] libffi-0:3.5.2-1.fc44.ppc64le 100% | 976.3 KiB/s | 42.0 KiB | 00m00s [142/177] p11-kit-0:0.25.8-1.fc44.ppc64 100% | 10.0 MiB/s | 499.5 KiB | 00m00s [143/177] qt6-srpm-macros-0:6.9.2-1.fc4 100% | 1.9 KiB/s | 9.4 KiB | 00m05s [144/177] alternatives-0:1.33-2.fc43.pp 100% | 692.9 KiB/s | 43.7 KiB | 00m00s [145/177] jansson-0:2.14-3.fc43.ppc64le 100% | 734.6 KiB/s | 50.7 KiB | 00m00s [146/177] libusb1-0:1.0.29-4.fc44.ppc64 100% | 1.9 MiB/s | 85.4 KiB | 00m00s [147/177] libtasn1-0:4.20.0-2.fc43.ppc6 100% | 1.9 MiB/s | 81.2 KiB | 00m00s [148/177] libattr-0:2.5.2-6.fc43.ppc64l 100% | 3.7 KiB/s | 18.7 KiB | 00m05s [149/177] cyrus-sasl-lib-0:2.1.28-33.fc 100% | 9.5 MiB/s | 901.7 KiB | 00m00s [150/177] libevent-0:2.1.12-16.fc43.ppc 100% | 2.6 MiB/s | 274.4 KiB | 00m00s [151/177] libtool-ltdl-0:2.5.4-7.fc43.p 100% | 990.4 KiB/s | 39.6 KiB | 00m00s [152/177] libidn2-0:2.3.8-2.fc43.ppc64l 100% | 4.2 MiB/s | 171.3 KiB | 00m00s [153/177] libunistring-0:1.1-10.fc43.pp 100% | 9.1 MiB/s | 575.4 KiB | 00m00s [154/177] nettle-0:3.10.1-2.fc43.ppc64l 100% | 9.8 MiB/s | 461.0 KiB | 00m00s [155/177] gdbm-libs-1:1.23-10.fc43.ppc6 100% | 1.5 MiB/s | 61.8 KiB | 00m00s [156/177] fedora-release-0:44-0.2.noarc 100% | 357.8 KiB/s | 14.0 KiB | 00m00s [157/177] systemd-standalone-sysusers-0 100% | 3.6 MiB/s | 151.7 KiB | 00m00s [158/177] fedora-release-identity-basic 100% | 377.4 KiB/s | 14.7 KiB | 00m00s [159/177] libcurl-0:8.16.0-1.fc44.ppc64 100% | 9.5 MiB/s | 466.0 KiB | 00m00s [160/177] gdb-minimal-0:16.3-6.fc44.ppc 100% | 26.8 MiB/s | 4.7 MiB | 00m00s [161/177] libnghttp2-0:1.67.1-1.fc44.pp 100% | 1.4 MiB/s | 80.5 KiB | 00m00s [162/177] policycoreutils-0:3.9-4.fc44. 100% | 4.1 MiB/s | 193.6 KiB | 00m00s [163/177] selinux-policy-0:42.9-1.fc44. 100% | 1.3 MiB/s | 60.3 KiB | 00m00s [164/177] libselinux-utils-0:3.9-5.fc44 100% | 2.6 MiB/s | 115.2 KiB | 00m00s [165/177] selinux-policy-targeted-0:42. 100% | 36.8 MiB/s | 6.6 MiB | 00m00s [166/177] rpm-plugin-selinux-0:5.99.92- 100% | 313.3 KiB/s | 19.4 KiB | 00m00s [167/177] xxhash-libs-0:0.8.3-3.fc43.pp 100% | 921.8 KiB/s | 37.8 KiB | 00m00s [168/177] krb5-libs-0:1.21.3-7.fc43.ppc 100% | 15.6 MiB/s | 844.5 KiB | 00m00s [169/177] libbrotli-0:1.1.0-10.fc44.ppc 100% | 8.1 MiB/s | 381.9 KiB | 00m00s [170/177] libpsl-0:0.21.5-6.fc43.ppc64l 100% | 1.6 MiB/s | 66.7 KiB | 00m00s [171/177] libssh-0:0.11.3-1.fc44.ppc64l 100% | 6.1 MiB/s | 266.5 KiB | 00m00s [172/177] libssh-config-0:0.11.3-1.fc44 100% | 233.6 KiB/s | 9.1 KiB | 00m00s [173/177] keyutils-libs-0:1.6.3-6.fc43. 100% | 813.6 KiB/s | 32.5 KiB | 00m00s [174/177] libcom_err-0:1.47.3-2.fc43.pp 100% | 696.0 KiB/s | 27.1 KiB | 00m00s [175/177] libverto-0:0.3.2-11.fc43.ppc6 100% | 547.2 KiB/s | 21.9 KiB | 00m00s [176/177] publicsuffix-list-dafsa-0:202 100% | 1.5 MiB/s | 59.2 KiB | 00m00s [177/177] p11-kit-trust-0:0.25.8-1.fc44 100% | 15.5 KiB/s | 156.5 KiB | 00m10s -------------------------------------------------------------------------------- [177/177] Total 100% | 2.1 MiB/s | 70.9 MiB | 00m34s Running transaction [ 1/179] Verify package files 100% | 177.0 B/s | 177.0 B | 00m01s >>> Running %pretrans scriptlet: filesystem-0:3.18-50.fc43.ppc64le >>> Finished %pretrans scriptlet: filesystem-0:3.18-50.fc43.ppc64le >>> [RPM] /var/lib/mock/fedora-42-ppc64le-1758462720.092472/root/var/cache/dnf/c [ 2/179] Prepare transaction 100% | 1.1 KiB/s | 177.0 B | 00m00s [ 3/179] Installing libgcc-0:15.2.1-1. 100% | 70.3 MiB/s | 288.1 KiB | 00m00s [ 4/179] Installing publicsuffix-list- 100% | 68.2 MiB/s | 69.8 KiB | 00m00s [ 5/179] Installing libssh-config-0:0. 100% | 796.9 KiB/s | 816.0 B | 00m00s [ 6/179] Installing fedora-release-ide 100% | 0.0 B/s | 920.0 B | 00m00s [ 7/179] Installing fedora-repos-rawhi 100% | 2.4 MiB/s | 2.4 KiB | 00m00s [ 8/179] Installing fedora-gpg-keys-0: 100% | 12.5 MiB/s | 179.0 KiB | 00m00s [ 9/179] Installing fedora-repos-0:44- 100% | 5.6 MiB/s | 5.7 KiB | 00m00s [ 10/179] Installing fedora-release-com 100% | 8.1 MiB/s | 24.8 KiB | 00m00s [ 11/179] Installing fedora-release-0:4 100% | 12.1 KiB/s | 124.0 B | 00m00s >>> Running sysusers scriptlet: setup-0:2.15.0-26.fc43.noarch >>> Finished sysusers scriptlet: setup-0:2.15.0-26.fc43.noarch >>> Scriptlet output: >>> Creating group 'adm' with GID 4. >>> Creating group 'audio' with GID 63. >>> Creating group 'cdrom' with GID 11. >>> Creating group 'clock' with GID 103. >>> Creating group 'dialout' with GID 18. >>> Creating group 'disk' with GID 6. >>> Creating group 'floppy' with GID 19. >>> Creating group 'ftp' with GID 50. >>> Creating group 'games' with GID 20. >>> Creating group 'input' with GID 104. >>> Creating group 'kmem' with GID 9. >>> Creating group 'kvm' with GID 36. >>> Creating group 'lock' with GID 54. >>> Creating group 'lp' with GID 7. >>> Creating group 'mail' with GID 12. >>> Creating group 'man' with GID 15. >>> Creating group 'mem' with GID 8. >>> Creating group 'nobody' with GID 65534. >>> Creating group 'render' with GID 105. >>> Creating group 'root' with GID 0. >>> Creating group 'sgx' with GID 106. >>> Creating group 'sys' with GID 3. >>> Creating group 'tape' with GID 33. >>> Creating group 'tty' with GID 5. >>> Creating group 'users' with GID 100. >>> Creating group 'utmp' with GID 22. >>> Creating group 'video' with GID 39. >>> Creating group 'wheel' with GID 10. >>> Creating user 'adm' (adm) with UID 3 and GID 4. >>> Creating group 'bin' with GID 1. >>> Creating user 'bin' (bin) with UID 1 and GID 1. >>> Creating group 'daemon' with GID 2. >>> Creating user 'daemon' (daemon) with UID 2 and GID 2. >>> Creating user 'ftp' (FTP User) with UID 14 and GID 50. >>> Creating user 'games' (games) with UID 12 and GID 100. >>> Creating user 'halt' (halt) with UID 7 and GID 0. >>> Creating user 'lp' (lp) with UID 4 and GID 7. >>> Creating user 'mail' (mail) with UID 8 and GID 12. >>> Creating user 'nobody' (Kernel Overflow User) with UID 65534 and GID 65534. >>> Creating user 'operator' (operator) with UID 11 and GID 0. >>> Creating user 'root' (Super User) with UID 0 and GID 0. >>> Creating user 'shutdown' (shutdown) with UID 6 and GID 0. >>> Creating user 'sync' (sync) with UID 5 and GID 0. >>> [ 12/179] Installing setup-0:2.15.0-26. 100% | 19.3 MiB/s | 730.6 KiB | 00m00s >>> [RPM] /etc/hosts created as /etc/hosts.rpmnew [ 13/179] Installing filesystem-0:3.18- 100% | 929.1 KiB/s | 212.8 KiB | 00m00s [ 14/179] Installing pcre2-syntax-0:10. 100% | 67.8 MiB/s | 277.8 KiB | 00m00s [ 15/179] Installing rust-srpm-macros-0 100% | 5.4 MiB/s | 5.6 KiB | 00m00s [ 16/179] Installing qt6-srpm-macros-0: 100% | 0.0 B/s | 740.0 B | 00m00s [ 17/179] Installing qt5-srpm-macros-0: 100% | 0.0 B/s | 776.0 B | 00m00s [ 18/179] Installing perl-srpm-macros-0 100% | 0.0 B/s | 1.1 KiB | 00m00s [ 19/179] Installing package-notes-srpm 100% | 2.0 MiB/s | 2.0 KiB | 00m00s [ 20/179] Installing openblas-srpm-macr 100% | 0.0 B/s | 392.0 B | 00m00s [ 21/179] Installing ocaml-srpm-macros- 100% | 2.1 MiB/s | 2.1 KiB | 00m00s [ 22/179] Installing kernel-srpm-macros 100% | 2.3 MiB/s | 2.3 KiB | 00m00s [ 23/179] Installing gnat-srpm-macros-0 100% | 0.0 B/s | 1.3 KiB | 00m00s [ 24/179] Installing ghc-srpm-macros-0: 100% | 0.0 B/s | 1.0 KiB | 00m00s [ 25/179] Installing fpc-srpm-macros-0: 100% | 0.0 B/s | 420.0 B | 00m00s [ 26/179] Installing ansible-srpm-macro 100% | 35.4 MiB/s | 36.2 KiB | 00m00s [ 27/179] Installing pkgconf-m4-0:2.3.0 100% | 14.5 MiB/s | 14.8 KiB | 00m00s [ 28/179] Installing ncurses-base-0:6.5 100% | 23.0 MiB/s | 353.5 KiB | 00m00s [ 29/179] Installing glibc-minimal-lang 100% | 0.0 B/s | 124.0 B | 00m00s [ 30/179] Installing ncurses-libs-0:6.5 100% | 93.5 MiB/s | 1.5 MiB | 00m00s [ 31/179] Installing glibc-0:2.42.9000- 100% | 94.9 MiB/s | 11.6 MiB | 00m00s [ 32/179] Installing bash-0:5.3.0-2.fc4 100% | 93.0 MiB/s | 8.9 MiB | 00m00s [ 33/179] Installing glibc-common-0:2.4 100% | 35.1 MiB/s | 1.5 MiB | 00m00s [ 34/179] Installing glibc-gconv-extra- 100% | 123.8 MiB/s | 18.6 MiB | 00m00s [ 35/179] Installing zlib-ng-compat-0:2 100% | 96.8 MiB/s | 198.2 KiB | 00m00s [ 36/179] Installing bzip2-libs-0:1.0.8 100% | 67.2 MiB/s | 137.7 KiB | 00m00s [ 37/179] Installing libgpg-error-0:1.5 100% | 26.8 MiB/s | 1.0 MiB | 00m00s [ 38/179] Installing libstdc++-0:15.2.1 100% | 126.0 MiB/s | 3.9 MiB | 00m00s [ 39/179] Installing xz-libs-1:5.8.1-2. 100% | 86.7 MiB/s | 266.4 KiB | 00m00s [ 40/179] Installing libassuan-0:2.5.7- 100% | 70.8 MiB/s | 217.6 KiB | 00m00s [ 41/179] Installing libgcrypt-0:1.11.1 100% | 107.6 MiB/s | 1.5 MiB | 00m00s [ 42/179] Installing libuuid-0:2.41.1-1 100% | 34.3 MiB/s | 70.3 KiB | 00m00s [ 43/179] Installing readline-0:8.3-2.f 100% | 102.5 MiB/s | 629.7 KiB | 00m00s [ 44/179] Installing gmp-1:6.3.0-4.fc44 100% | 96.2 MiB/s | 788.4 KiB | 00m00s [ 45/179] Installing popt-0:1.19-9.fc43 100% | 26.3 MiB/s | 215.3 KiB | 00m00s [ 46/179] Installing npth-0:1.8-3.fc43. 100% | 46.0 MiB/s | 94.2 KiB | 00m00s [ 47/179] Installing libblkid-0:2.41.1- 100% | 86.8 MiB/s | 355.6 KiB | 00m00s [ 48/179] Installing libsepol-0:3.9-2.f 100% | 115.8 MiB/s | 1.0 MiB | 00m00s [ 49/179] Installing libxcrypt-0:4.4.38 100% | 82.7 MiB/s | 338.9 KiB | 00m00s [ 50/179] Installing libzstd-0:1.5.7-2. 100% | 112.9 MiB/s | 925.0 KiB | 00m00s [ 51/179] Installing elfutils-libelf-0: 100% | 125.2 MiB/s | 1.3 MiB | 00m00s [ 52/179] Installing sqlite-libs-0:3.50 100% | 114.1 MiB/s | 1.9 MiB | 00m00s [ 53/179] Installing gnupg2-gpgconf-0:2 100% | 8.3 MiB/s | 323.9 KiB | 00m00s [ 54/179] Installing crypto-policies-0: 100% | 11.2 MiB/s | 172.0 KiB | 00m00s [ 55/179] Installing libattr-0:2.5.2-6. 100% | 67.5 MiB/s | 69.1 KiB | 00m00s [ 56/179] Installing libacl-0:2.3.2-4.f 100% | 66.8 MiB/s | 68.4 KiB | 00m00s [ 57/179] Installing pcre2-0:10.46-1.fc 100% | 117.5 MiB/s | 842.4 KiB | 00m00s [ 58/179] Installing libselinux-0:3.9-5 100% | 65.0 MiB/s | 266.4 KiB | 00m00s [ 59/179] Installing grep-0:3.12-2.fc43 100% | 25.3 MiB/s | 1.0 MiB | 00m00s [ 60/179] Installing sed-0:4.9-5.fc43.p 100% | 23.7 MiB/s | 945.3 KiB | 00m00s [ 61/179] Installing findutils-1:4.10.0 100% | 44.5 MiB/s | 2.0 MiB | 00m00s [ 62/179] Installing libtasn1-0:4.20.0- 100% | 72.2 MiB/s | 221.9 KiB | 00m00s [ 63/179] Installing libunistring-0:1.1 100% | 117.0 MiB/s | 1.9 MiB | 00m00s [ 64/179] Installing libidn2-0:2.3.8-2. 100% | 55.3 MiB/s | 566.4 KiB | 00m00s [ 65/179] Installing xz-1:5.8.1-2.fc43. 100% | 30.7 MiB/s | 1.4 MiB | 00m00s [ 66/179] Installing libmount-0:2.41.1- 100% | 107.3 MiB/s | 549.3 KiB | 00m00s [ 67/179] Installing dwz-0:0.16-2.fc43. 100% | 12.6 MiB/s | 388.0 KiB | 00m00s [ 68/179] Installing gnupg2-verify-0:2. 100% | 13.5 MiB/s | 429.7 KiB | 00m00s [ 69/179] Installing mpfr-0:4.2.2-2.fc4 100% | 99.3 MiB/s | 915.3 KiB | 00m00s [ 70/179] Installing gawk-0:5.3.2-2.fc4 100% | 55.5 MiB/s | 2.8 MiB | 00m00s [ 71/179] Installing libksba-0:1.6.7-4. 100% | 86.1 MiB/s | 529.0 KiB | 00m00s [ 72/179] Installing unzip-0:6.0-68.fc4 100% | 16.4 MiB/s | 537.4 KiB | 00m00s [ 73/179] Installing file-libs-0:5.46-8 100% | 182.8 MiB/s | 11.9 MiB | 00m00s [ 74/179] Installing file-0:5.46-8.fc44 100% | 4.9 MiB/s | 141.6 KiB | 00m00s [ 75/179] Installing diffutils-0:3.12-3 100% | 38.3 MiB/s | 1.7 MiB | 00m00s [ 76/179] Installing libsmartcols-0:2.4 100% | 70.9 MiB/s | 290.6 KiB | 00m00s [ 77/179] Installing libcap-ng-0:0.8.5- 100% | 79.2 MiB/s | 162.1 KiB | 00m00s [ 78/179] Installing audit-libs-0:4.1.2 100% | 90.0 MiB/s | 553.2 KiB | 00m00s [ 79/179] Installing libsemanage-0:3.9- 100% | 83.1 MiB/s | 425.7 KiB | 00m00s [ 80/179] Installing libeconf-0:0.7.9-2 100% | 40.3 MiB/s | 82.5 KiB | 00m00s [ 81/179] Installing pam-libs-0:1.7.1-3 100% | 70.5 MiB/s | 288.6 KiB | 00m00s [ 82/179] Installing libcap-0:2.76-3.fc 100% | 15.7 MiB/s | 512.9 KiB | 00m00s [ 83/179] Installing systemd-libs-0:258 100% | 123.4 MiB/s | 3.0 MiB | 00m00s [ 84/179] Installing lua-libs-0:5.4.8-2 100% | 96.2 MiB/s | 394.0 KiB | 00m00s [ 85/179] Installing lz4-libs-0:1.10.0- 100% | 85.4 MiB/s | 262.2 KiB | 00m00s [ 86/179] Installing json-c-0:0.18-7.fc 100% | 68.3 MiB/s | 139.8 KiB | 00m00s [ 87/179] Installing libffi-0:3.5.2-1.f 100% | 85.2 MiB/s | 349.0 KiB | 00m00s [ 88/179] Installing p11-kit-0:0.25.8-1 100% | 50.9 MiB/s | 2.9 MiB | 00m00s [ 89/179] Installing alternatives-0:1.3 100% | 3.3 MiB/s | 91.7 KiB | 00m00s [ 90/179] Installing p11-kit-trust-0:0. 100% | 14.9 MiB/s | 595.9 KiB | 00m00s [ 91/179] Installing zstd-0:1.5.7-2.fc4 100% | 46.3 MiB/s | 1.9 MiB | 00m00s [ 92/179] Installing util-linux-core-0: 100% | 47.7 MiB/s | 2.5 MiB | 00m00s [ 93/179] Installing libusb1-0:1.0.29-4 100% | 79.6 MiB/s | 244.4 KiB | 00m00s [ 94/179] Installing systemd-standalone 100% | 13.3 MiB/s | 394.1 KiB | 00m00s [ 95/179] Installing zip-0:3.0-44.fc43. 100% | 24.9 MiB/s | 893.7 KiB | 00m00s [ 96/179] Installing gnupg2-keyboxd-0:2 100% | 32.4 MiB/s | 298.5 KiB | 00m00s [ 97/179] Installing libpsl-0:0.21.5-6. 100% | 65.1 MiB/s | 133.2 KiB | 00m00s [ 98/179] Installing tar-2:1.35-6.fc43. 100% | 56.9 MiB/s | 3.1 MiB | 00m00s [ 99/179] Installing linkdupes-0:0.7.2- 100% | 25.3 MiB/s | 908.2 KiB | 00m00s [100/179] Installing libselinux-utils-0 100% | 33.9 MiB/s | 1.4 MiB | 00m00s [101/179] Installing liblastlog2-0:2.41 100% | 15.1 MiB/s | 139.6 KiB | 00m00s [102/179] Installing libfdisk-0:2.41.1- 100% | 94.6 MiB/s | 484.2 KiB | 00m00s [103/179] Installing nettle-0:3.10.1-2. 100% | 93.8 MiB/s | 960.9 KiB | 00m00s [104/179] Installing gnutls-0:3.8.10-5. 100% | 117.8 MiB/s | 4.0 MiB | 00m00s [105/179] Installing libxml2-0:2.12.10- 100% | 48.2 MiB/s | 2.3 MiB | 00m00s [106/179] Installing bzip2-0:1.0.8-21.f 100% | 5.9 MiB/s | 175.7 KiB | 00m00s [107/179] Installing add-determinism-0: 100% | 52.5 MiB/s | 2.4 MiB | 00m00s [108/179] Installing filesystem-srpm-ma 100% | 19.0 MiB/s | 38.9 KiB | 00m00s [109/179] Installing ed-0:1.22.2-1.fc44 100% | 5.3 MiB/s | 158.2 KiB | 00m00s [110/179] Installing patch-0:2.8-2.fc43 100% | 8.6 MiB/s | 264.0 KiB | 00m00s [111/179] Installing elfutils-default-y 100% | 340.5 KiB/s | 2.0 KiB | 00m00s [112/179] Installing elfutils-libs-0:0. 100% | 95.1 MiB/s | 876.4 KiB | 00m00s [113/179] Installing cpio-0:2.15-6.fc43 100% | 28.9 MiB/s | 1.2 MiB | 00m00s [114/179] Installing librtas-0:2.0.6-4. 100% | 23.1 MiB/s | 307.5 KiB | 00m00s [115/179] Installing libgomp-0:15.2.1-1 100% | 105.2 MiB/s | 646.2 KiB | 00m00s [116/179] Installing libpkgconf-0:2.3.0 100% | 65.9 MiB/s | 135.0 KiB | 00m00s [117/179] Installing pkgconf-0:2.3.0-3. 100% | 3.9 MiB/s | 114.8 KiB | 00m00s [118/179] Installing pkgconf-pkg-config 100% | 68.2 KiB/s | 1.8 KiB | 00m00s [119/179] Installing jansson-0:2.14-3.f 100% | 51.6 MiB/s | 158.4 KiB | 00m00s [120/179] Installing libtool-ltdl-0:2.5 100% | 46.4 MiB/s | 95.0 KiB | 00m00s [121/179] Installing gdbm-libs-1:1.23-1 100% | 76.6 MiB/s | 235.2 KiB | 00m00s [122/179] Installing cyrus-sasl-lib-0:2 100% | 58.3 MiB/s | 2.9 MiB | 00m00s [123/179] Installing libnghttp2-0:1.67. 100% | 64.8 MiB/s | 199.0 KiB | 00m00s [124/179] Installing xxhash-libs-0:0.8. 100% | 42.5 MiB/s | 87.0 KiB | 00m00s [125/179] Installing libbrotli-0:1.1.0- 100% | 95.2 MiB/s | 975.0 KiB | 00m00s [126/179] Installing keyutils-libs-0:1. 100% | 48.5 MiB/s | 99.4 KiB | 00m00s [127/179] Installing libcom_err-0:1.47. 100% | 54.8 MiB/s | 112.1 KiB | 00m00s [128/179] Installing libverto-0:0.3.2-1 100% | 34.6 MiB/s | 70.9 KiB | 00m00s [129/179] Installing gap-srpm-macros-0: 100% | 2.5 MiB/s | 2.6 KiB | 00m00s [130/179] Installing coreutils-common-0 100% | 118.9 MiB/s | 11.3 MiB | 00m00s [131/179] Installing openssl-libs-1:3.5 100% | 130.4 MiB/s | 9.4 MiB | 00m00s [132/179] Installing coreutils-0:9.7-5. 100% | 86.4 MiB/s | 9.4 MiB | 00m00s [133/179] Installing ca-certificates-0: 100% | 861.9 KiB/s | 2.5 MiB | 00m03s [134/179] Installing libarchive-0:3.8.1 100% | 79.2 MiB/s | 1.3 MiB | 00m00s [135/179] Installing krb5-libs-0:1.21.3 100% | 69.0 MiB/s | 3.0 MiB | 00m00s >>> Running sysusers scriptlet: tpm2-tss-0:4.1.3-8.fc43.ppc64le >>> Finished sysusers scriptlet: tpm2-tss-0:4.1.3-8.fc43.ppc64le >>> Scriptlet output: >>> Creating group 'tss' with GID 59. >>> Creating user 'tss' (Account used for TPM access) with UID 59 and GID 59. >>> [136/179] Installing tpm2-tss-0:4.1.3-8 100% | 112.2 MiB/s | 2.5 MiB | 00m00s [137/179] Installing gnupg2-gpg-agent-0 100% | 23.3 MiB/s | 979.0 KiB | 00m00s [138/179] Installing ima-evm-utils-libs 100% | 45.8 MiB/s | 93.9 KiB | 00m00s [139/179] Installing libssh-0:0.11.3-1. 100% | 100.1 MiB/s | 717.3 KiB | 00m00s [140/179] Installing gzip-0:1.14-1.fc44 100% | 12.7 MiB/s | 443.1 KiB | 00m00s [141/179] Installing util-linux-0:2.41. 100% | 65.2 MiB/s | 7.0 MiB | 00m00s [142/179] Installing policycoreutils-0: 100% | 21.5 MiB/s | 1.3 MiB | 00m00s [143/179] Installing selinux-policy-0:4 100% | 1.1 MiB/s | 33.3 KiB | 00m00s [144/179] Installing selinux-policy-tar 100% | 54.5 MiB/s | 14.9 MiB | 00m00s [145/179] Installing build-reproducibil 100% | 1.5 MiB/s | 1.5 KiB | 00m00s [146/179] Installing rpm-sequoia-0:1.9. 100% | 126.0 MiB/s | 4.9 MiB | 00m00s [147/179] Installing rpm-libs-0:5.99.92 100% | 111.3 MiB/s | 1.2 MiB | 00m00s [148/179] Installing libfsverity-0:1.6- 100% | 33.7 MiB/s | 69.1 KiB | 00m00s [149/179] Installing libevent-0:2.1.12- 100% | 110.0 MiB/s | 1.2 MiB | 00m00s [150/179] Installing openldap-0:2.6.10- 100% | 87.3 MiB/s | 893.7 KiB | 00m00s [151/179] Installing libcurl-0:8.16.0-1 100% | 104.1 MiB/s | 1.1 MiB | 00m00s [152/179] Installing elfutils-debuginfo 100% | 4.7 MiB/s | 145.7 KiB | 00m00s [153/179] Installing elfutils-0:0.193-3 100% | 63.9 MiB/s | 3.5 MiB | 00m00s [154/179] Installing binutils-0:2.45.50 100% | 122.1 MiB/s | 33.0 MiB | 00m00s [155/179] Installing gdb-minimal-0:16.3 100% | 109.6 MiB/s | 15.7 MiB | 00m00s [156/179] Installing debugedit-0:5.2-3. 100% | 12.1 MiB/s | 384.9 KiB | 00m00s [157/179] Installing curl-0:8.16.0-1.fc 100% | 11.7 MiB/s | 538.2 KiB | 00m00s [158/179] Installing rpm-0:5.99.92-2.fc 100% | 34.6 MiB/s | 2.7 MiB | 00m00s [159/179] Installing java-srpm-macros-0 100% | 1.1 MiB/s | 1.1 KiB | 00m00s [160/179] Installing efi-srpm-macros-0: 100% | 20.1 MiB/s | 41.1 KiB | 00m00s [161/179] Installing lua-srpm-macros-0: 100% | 1.9 MiB/s | 1.9 KiB | 00m00s [162/179] Installing tree-sitter-srpm-m 100% | 9.1 MiB/s | 9.3 KiB | 00m00s [163/179] Installing zig-srpm-macros-0: 100% | 1.6 MiB/s | 1.7 KiB | 00m00s [164/179] Installing gnupg2-dirmngr-0:2 100% | 20.5 MiB/s | 840.8 KiB | 00m00s [165/179] Installing gnupg2-0:2.4.8-4.f 100% | 82.2 MiB/s | 6.9 MiB | 00m00s [166/179] Installing rpm-sign-libs-0:5. 100% | 33.4 MiB/s | 68.5 KiB | 00m00s [167/179] Installing rpm-build-libs-0:5 100% | 80.3 MiB/s | 328.8 KiB | 00m00s [168/179] Installing gpgverify-0:2.2-3. 100% | 9.2 MiB/s | 9.4 KiB | 00m00s [169/179] Installing pyproject-srpm-mac 100% | 2.4 MiB/s | 2.5 KiB | 00m00s [170/179] Installing rpm-build-0:5.99.9 100% | 18.2 MiB/s | 670.1 KiB | 00m00s [171/179] Installing fonts-srpm-macros- 100% | 27.8 MiB/s | 57.0 KiB | 00m00s [172/179] Installing forge-srpm-macros- 100% | 19.7 MiB/s | 40.3 KiB | 00m00s [173/179] Installing go-srpm-macros-0:3 100% | 30.8 MiB/s | 63.0 KiB | 00m00s [174/179] Installing python-srpm-macros 100% | 25.8 MiB/s | 52.8 KiB | 00m00s [175/179] Installing redhat-rpm-config- 100% | 30.8 MiB/s | 189.4 KiB | 00m00s [176/179] Installing rpm-plugin-selinux 100% | 33.6 MiB/s | 68.9 KiB | 00m00s [177/179] Installing which-0:2.23-3.fc4 100% | 4.1 MiB/s | 125.5 KiB | 00m00s [178/179] Installing shadow-utils-2:4.1 100% | 51.8 MiB/s | 4.9 MiB | 00m00s [179/179] Installing info-0:7.2-6.fc43. 100% | 33.0 KiB/s | 485.9 KiB | 00m15s Warning: skipped OpenPGP checks for 177 packages from repositories: copr_base, http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch Complete! Finish: installing minimal buildroot with dnf5 Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: add-determinism-0.7.2-1.fc44.ppc64le alternatives-1.33-2.fc43.ppc64le ansible-srpm-macros-1-18.1.fc43.noarch audit-libs-4.1.2-2.fc44.ppc64le bash-5.3.0-2.fc43.ppc64le binutils-2.45.50-3.fc44.ppc64le build-reproducibility-srpm-macros-0.7.2-1.fc44.noarch bzip2-1.0.8-21.fc43.ppc64le bzip2-libs-1.0.8-21.fc43.ppc64le ca-certificates-2025.2.80_v9.0.304-2.fc44.noarch coreutils-9.7-5.fc43.ppc64le coreutils-common-9.7-5.fc43.ppc64le cpio-2.15-6.fc43.ppc64le crypto-policies-20250714-5.gitcd6043a.fc44.noarch curl-8.16.0-1.fc44.ppc64le cyrus-sasl-lib-2.1.28-33.fc44.ppc64le debugedit-5.2-3.fc44.ppc64le diffutils-3.12-3.fc43.ppc64le dwz-0.16-2.fc43.ppc64le ed-1.22.2-1.fc44.ppc64le efi-srpm-macros-6-4.fc43.noarch elfutils-0.193-3.fc43.ppc64le elfutils-debuginfod-client-0.193-3.fc43.ppc64le elfutils-default-yama-scope-0.193-3.fc43.noarch elfutils-libelf-0.193-3.fc43.ppc64le elfutils-libs-0.193-3.fc43.ppc64le fedora-gpg-keys-44-0.1.noarch fedora-release-44-0.2.noarch fedora-release-common-44-0.2.noarch fedora-release-identity-basic-44-0.2.noarch fedora-repos-44-0.1.noarch fedora-repos-rawhide-44-0.1.noarch file-5.46-8.fc44.ppc64le file-libs-5.46-8.fc44.ppc64le filesystem-3.18-50.fc43.ppc64le filesystem-srpm-macros-3.18-50.fc43.noarch findutils-4.10.0-6.fc43.ppc64le fonts-srpm-macros-2.0.5-23.fc43.noarch forge-srpm-macros-0.4.0-3.fc43.noarch fpc-srpm-macros-1.3-15.fc43.noarch gap-srpm-macros-1-1.fc44.noarch gawk-5.3.2-2.fc43.ppc64le gdb-minimal-16.3-6.fc44.ppc64le gdbm-libs-1.23-10.fc43.ppc64le ghc-srpm-macros-1.9.2-3.fc43.noarch glibc-2.42.9000-5.fc44.ppc64le glibc-common-2.42.9000-5.fc44.ppc64le glibc-gconv-extra-2.42.9000-5.fc44.ppc64le glibc-minimal-langpack-2.42.9000-5.fc44.ppc64le gmp-6.3.0-4.fc44.ppc64le gnat-srpm-macros-6-8.fc43.noarch gnupg2-2.4.8-4.fc43.ppc64le gnupg2-dirmngr-2.4.8-4.fc43.ppc64le gnupg2-gpg-agent-2.4.8-4.fc43.ppc64le gnupg2-gpgconf-2.4.8-4.fc43.ppc64le gnupg2-keyboxd-2.4.8-4.fc43.ppc64le gnupg2-verify-2.4.8-4.fc43.ppc64le gnutls-3.8.10-5.fc44.ppc64le go-srpm-macros-3.8.0-1.fc44.noarch gpgverify-2.2-3.fc43.noarch grep-3.12-2.fc43.ppc64le gzip-1.14-1.fc44.ppc64le ima-evm-utils-libs-1.6.2-6.fc43.ppc64le info-7.2-6.fc43.ppc64le jansson-2.14-3.fc43.ppc64le java-srpm-macros-1-7.fc43.noarch json-c-0.18-7.fc43.ppc64le kernel-srpm-macros-1.0-27.fc43.noarch keyutils-libs-1.6.3-6.fc43.ppc64le krb5-libs-1.21.3-7.fc43.ppc64le libacl-2.3.2-4.fc43.ppc64le libarchive-3.8.1-3.fc43.ppc64le libassuan-2.5.7-4.fc43.ppc64le libattr-2.5.2-6.fc43.ppc64le libblkid-2.41.1-17.fc44.ppc64le libbrotli-1.1.0-10.fc44.ppc64le libcap-2.76-3.fc44.ppc64le libcap-ng-0.8.5-8.fc44.ppc64le libcom_err-1.47.3-2.fc43.ppc64le libcurl-8.16.0-1.fc44.ppc64le libeconf-0.7.9-2.fc43.ppc64le libevent-2.1.12-16.fc43.ppc64le libfdisk-2.41.1-17.fc44.ppc64le libffi-3.5.2-1.fc44.ppc64le libfsverity-1.6-3.fc43.ppc64le libgcc-15.2.1-1.fc44.1.ppc64le libgcrypt-1.11.1-2.fc43.ppc64le libgomp-15.2.1-1.fc44.1.ppc64le libgpg-error-1.55-2.fc43.ppc64le libidn2-2.3.8-2.fc43.ppc64le libksba-1.6.7-4.fc43.ppc64le liblastlog2-2.41.1-17.fc44.ppc64le libmount-2.41.1-17.fc44.ppc64le libnghttp2-1.67.1-1.fc44.ppc64le libpkgconf-2.3.0-3.fc43.ppc64le libpsl-0.21.5-6.fc43.ppc64le librtas-2.0.6-4.fc43.ppc64le libselinux-3.9-5.fc44.ppc64le libselinux-utils-3.9-5.fc44.ppc64le libsemanage-3.9-4.fc44.ppc64le libsepol-3.9-2.fc43.ppc64le libsmartcols-2.41.1-17.fc44.ppc64le libssh-0.11.3-1.fc44.ppc64le libssh-config-0.11.3-1.fc44.noarch libstdc++-15.2.1-1.fc44.1.ppc64le libtasn1-4.20.0-2.fc43.ppc64le libtool-ltdl-2.5.4-7.fc43.ppc64le libunistring-1.1-10.fc43.ppc64le libusb1-1.0.29-4.fc44.ppc64le libuuid-2.41.1-17.fc44.ppc64le libverto-0.3.2-11.fc43.ppc64le libxcrypt-4.4.38-9.fc44.ppc64le libxml2-2.12.10-5.fc44.ppc64le libzstd-1.5.7-2.fc43.ppc64le linkdupes-0.7.2-1.fc44.ppc64le lua-libs-5.4.8-2.fc43.ppc64le lua-srpm-macros-1-16.fc43.noarch lz4-libs-1.10.0-3.fc43.ppc64le mpfr-4.2.2-2.fc43.ppc64le ncurses-base-6.5-7.20250614.fc43.noarch ncurses-libs-6.5-7.20250614.fc43.ppc64le nettle-3.10.1-2.fc43.ppc64le npth-1.8-3.fc43.ppc64le ocaml-srpm-macros-11-2.fc43.noarch openblas-srpm-macros-2-20.fc43.noarch openldap-2.6.10-4.fc44.ppc64le openssl-libs-3.5.1-3.fc44.ppc64le p11-kit-0.25.8-1.fc44.ppc64le p11-kit-trust-0.25.8-1.fc44.ppc64le package-notes-srpm-macros-0.5-14.fc43.noarch pam-libs-1.7.1-3.fc43.ppc64le patch-2.8-2.fc43.ppc64le pcre2-10.46-1.fc44.ppc64le pcre2-syntax-10.46-1.fc44.noarch perl-srpm-macros-1-60.fc43.noarch pkgconf-2.3.0-3.fc43.ppc64le pkgconf-m4-2.3.0-3.fc43.noarch pkgconf-pkg-config-2.3.0-3.fc43.ppc64le policycoreutils-3.9-4.fc44.ppc64le popt-1.19-9.fc43.ppc64le publicsuffix-list-dafsa-20250616-2.fc43.noarch pyproject-srpm-macros-1.18.4-1.fc44.noarch python-srpm-macros-3.14-7.fc44.noarch qt5-srpm-macros-5.15.17-2.fc43.noarch qt6-srpm-macros-6.9.2-1.fc44.noarch readline-8.3-2.fc43.ppc64le redhat-rpm-config-343-13.fc44.noarch rpm-5.99.92-2.fc44.ppc64le rpm-build-5.99.92-2.fc44.ppc64le rpm-build-libs-5.99.92-2.fc44.ppc64le rpm-libs-5.99.92-2.fc44.ppc64le rpm-plugin-selinux-5.99.92-2.fc44.ppc64le rpm-sequoia-1.9.0-2.fc43.ppc64le rpm-sign-libs-5.99.92-2.fc44.ppc64le rust-srpm-macros-26.4-1.fc44.noarch sed-4.9-5.fc43.ppc64le selinux-policy-42.9-1.fc44.noarch selinux-policy-targeted-42.9-1.fc44.noarch setup-2.15.0-26.fc43.noarch shadow-utils-4.18.0-3.fc43.ppc64le sqlite-libs-3.50.2-2.fc43.ppc64le systemd-libs-258-1.fc44.ppc64le systemd-standalone-sysusers-258-1.fc44.ppc64le tar-1.35-6.fc43.ppc64le tpm2-tss-4.1.3-8.fc43.ppc64le tree-sitter-srpm-macros-0.4.2-1.fc43.noarch unzip-6.0-68.fc44.ppc64le util-linux-2.41.1-17.fc44.ppc64le util-linux-core-2.41.1-17.fc44.ppc64le which-2.23-3.fc43.ppc64le xxhash-libs-0.8.3-3.fc43.ppc64le xz-5.8.1-2.fc43.ppc64le xz-libs-5.8.1-2.fc43.ppc64le zig-srpm-macros-1-5.fc43.noarch zip-3.0-44.fc43.ppc64le zlib-ng-compat-2.2.5-2.fc44.ppc64le zstd-1.5.7-2.fc43.ppc64le Start: buildsrpm Start: rpmbuild -bs Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1758412800 Wrote: /builddir/build/SRPMS/xtb-6.7.1-5.fc44.src.rpm Finish: rpmbuild -bs INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-42-ppc64le-1758462720.092472/root/var/log/dnf5.log INFO: chroot_scan: creating tarball /var/lib/copr-rpmbuild/results/chroot_scan.tar.gz /bin/tar: Removing leading `/' from member names Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-oqa4sjsn/xtb/xtb.spec) Config(child) 1 minutes 32 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot INFO: Start(/var/lib/copr-rpmbuild/results/xtb-6.7.1-5.fc44.src.rpm) Config(fedora-42-ppc64le) Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-42-ppc64le-bootstrap-1758462720.092472/root. INFO: reusing tmpfs at /var/lib/mock/fedora-42-ppc64le-bootstrap-1758462720.092472/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start(bootstrap): cleaning package manager metadata Finish(bootstrap): cleaning package manager metadata Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-42-ppc64le-1758462720.092472/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 INFO: Buildroot is handled by package management downloaded with a bootstrap image: rpm-4.20.1-1.fc42.ppc64le rpm-sequoia-1.7.0-5.fc42.ppc64le dnf5-5.2.16.0-1.fc42.ppc64le dnf5-plugins-5.2.16.0-1.fc42.ppc64le Finish: chroot init Start: build phase for xtb-6.7.1-5.fc44.src.rpm Start: build setup for xtb-6.7.1-5.fc44.src.rpm Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1758412800 Wrote: /builddir/build/SRPMS/xtb-6.7.1-5.fc44.src.rpm Updating and loading repositories: Additional repo http_kojipkgs_fedorapr 100% | 34.8 KiB/s | 3.8 KiB | 00m00s Copr repository 100% | 14.0 KiB/s | 1.5 KiB | 00m00s fedora 100% | 30.3 KiB/s | 5.6 KiB | 00m00s updates 100% | 47.1 KiB/s | 6.6 KiB | 00m00s Repositories loaded. Package Arch Version Repository Size Installing: dftd4-devel ppc64le 3.7.0-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 325.4 KiB flexiblas-devel ppc64le 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 5.0 MiB gcc-gfortran ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 37.5 MiB hostname ppc64le 3.25-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 89.3 KiB mctc-lib-devel ppc64le 0.3.2-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 192.7 KiB meson noarch 1.9.0-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 13.4 MiB multicharge-devel ppc64le 0.3.0-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 151.4 KiB ninja-build ppc64le 1.13.1-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 531.9 KiB rubygem-asciidoctor noarch 2.0.20-10.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB test-drive-devel ppc64le 0.4.0-10.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 15.5 KiB Installing dependencies: annobin-docs noarch 12.99-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 98.9 KiB annobin-plugin-gcc ppc64le 12.99-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB cmake-filesystem ppc64le 3.31.6-4.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B cpp ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 34.6 MiB dftd4 ppc64le 3.7.0-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 728.9 KiB expat ppc64le 2.7.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 422.3 KiB flexiblas ppc64le 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 50.4 KiB flexiblas-netlib ppc64le 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 12.3 MiB flexiblas-netlib64 ppc64le 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 12.1 MiB flexiblas-openblas-openmp ppc64le 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 66.9 KiB flexiblas-openblas-openmp64 ppc64le 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 66.9 KiB gcc ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 97.7 MiB gcc-plugin-annobin ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 68.9 KiB glibc-devel ppc64le 2.42.9000-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.6 MiB json-fortran ppc64le 8.3.0-10.fc42 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 341.1 KiB json-fortran-devel ppc64le 8.3.0-10.fc42 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 89.1 KiB kernel-headers ppc64le 6.17.0-0.rc6.49.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.7 MiB libasan ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.1 MiB libatomic ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 68.2 KiB libgfortran ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.8 MiB libmpc ppc64le 1.3.1-8.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 281.6 KiB libquadmath ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 426.5 KiB libquadmath-devel ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 22.2 KiB libubsan ppc64le 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 668.6 KiB libxcrypt-devel ppc64le 4.4.38-9.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30.8 KiB libyaml ppc64le 0.2.5-17.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 198.3 KiB make ppc64le 1:4.4.1-11.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 MiB mctc-lib ppc64le 0.3.2-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 411.5 KiB mpdecimal ppc64le 4.0.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 281.2 KiB multicharge ppc64le 0.3.0-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 279.7 KiB openblas ppc64le 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 111.7 KiB openblas-openmp ppc64le 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 23.2 MiB openblas-openmp64 ppc64le 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 23.0 MiB python-pip-wheel noarch 25.2-4.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 MiB python3 ppc64le 3.14.0~rc3-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 84.8 KiB python3-libs ppc64le 3.14.0~rc3-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 46.2 MiB python3-setuptools noarch 78.1.1-15.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.0 MiB ruby ppc64le 3.4.5-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 141.3 KiB ruby-default-gems noarch 3.4.5-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 65.9 KiB ruby-libs ppc64le 3.4.5-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18.6 MiB rubygem-io-console ppc64le 0.8.1-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 68.9 KiB rubygem-psych ppc64le 5.2.2-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 168.3 KiB rubygems noarch 3.6.9-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 MiB rubypick noarch 1.1.1-23.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 4.4 KiB test-drive ppc64le 0.4.0-10.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 160.0 KiB tzdata noarch 2025b-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 MiB vim-filesystem noarch 2:9.1.1775-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40.0 B Transaction Summary: Installing: 57 packages Total size of inbound packages is 103 MiB. Need to download 103 MiB. After this operation, 363 MiB extra will be used (install 363 MiB, remove 0 B). [ 1/57] flexiblas-devel-0:3.4.5-5.fc44. 100% | 729.7 KiB/s | 113.8 KiB | 00m00s [ 2/57] hostname-0:3.25-3.fc43.ppc64le 100% | 711.3 KiB/s | 27.7 KiB | 00m00s [ 3/57] dftd4-devel-0:3.7.0-8.fc44.ppc6 100% | 1.4 MiB/s | 324.3 KiB | 00m00s [ 4/57] mctc-lib-devel-0:0.3.2-3.fc43.p 100% | 3.3 MiB/s | 197.4 KiB | 00m00s [ 5/57] multicharge-devel-0:0.3.0-5.fc4 100% | 3.5 MiB/s | 156.2 KiB | 00m00s [ 6/57] ninja-build-0:1.13.1-3.fc44.ppc 100% | 4.2 MiB/s | 204.6 KiB | 00m00s [ 7/57] rubygem-asciidoctor-0:2.0.20-10 100% | 5.0 MiB/s | 248.8 KiB | 00m00s [ 8/57] test-drive-devel-0:0.4.0-10.fc4 100% | 335.9 KiB/s | 16.8 KiB | 00m00s [ 9/57] gcc-gfortran-0:15.2.1-1.fc44.1. 100% | 23.3 MiB/s | 13.0 MiB | 00m01s [10/57] dftd4-0:3.7.0-8.fc44.ppc64le 100% | 2.1 MiB/s | 232.9 KiB | 00m00s [11/57] meson-0:1.9.0-3.fc44.noarch 100% | 6.8 MiB/s | 2.3 MiB | 00m00s [12/57] libquadmath-0:15.2.1-1.fc44.1.p 100% | 4.3 MiB/s | 222.3 KiB | 00m00s [13/57] libquadmath-devel-0:15.2.1-1.fc 100% | 1.0 MiB/s | 44.9 KiB | 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| 00m00s [58/59] Installing flexiblas-devel-0:3. 100% | 71.6 MiB/s | 5.0 MiB | 00m00s [59/59] Installing hostname-0:3.25-3.fc 100% | 298.5 KiB/s | 92.2 KiB | 00m00s Warning: skipped OpenPGP checks for 57 packages from repository: http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch Complete! Finish: build setup for xtb-6.7.1-5.fc44.src.rpm Start: rpmbuild xtb-6.7.1-5.fc44.src.rpm Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1758412800 Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.8eD1XD Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.vKicnp + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + cd /builddir/build/BUILD/xtb-6.7.1-build + rm -rf xtb-6.7.1 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/xtb-6.7.1.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd xtb-6.7.1 + /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 Patch #5 (xtb-6.7.1-formatting.patch): + echo 'Patch #5 (xtb-6.7.1-formatting.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .formatting --fuzz=0 patching file src/optimizer.f90 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.7TFroe + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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-6.7.1 + export 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + export 'FCFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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/bin --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 -Dlapack=custom -Dcustom_libraries=flexiblas -Dtblite=disabled -Dcpcmx=disabled The Meson build system Version: 1.9.0 Source dir: /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1 Build dir: /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build Build type: native build Project name: xtb Project version: 6.7.1 Fortran compiler for the host machine: gfortran (gcc 15.2.1 "GNU Fortran (GCC) 15.2.1 20250808 (Red Hat 15.2.1-1)") Fortran linker for the host machine: gfortran ld.bfd 2.45.50.20250908 C compiler for the host machine: gcc (gcc 15.2.1 "gcc (GCC) 15.2.1 20250808 (Red Hat 15.2.1-1)") C linker for the host machine: gcc ld.bfd 2.45.50.20250908 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: YES (/usr/bin/pkg-config) 2.3.0 Run-time dependency mctc-lib found: YES 0.3.2 Dependency tblite skipped: feature tblite disabled Run-time dependency multicharge found: YES 0.3.0 Run-time dependency dftd4 found: YES 3.7.0 Dependency cpx skipped: feature cpcmx disabled 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 6.7.1 User defined options auto_features : enabled bindir : /usr/bin buildtype : plain cpcmx : disabled custom_libraries: flexiblas datadir : /usr/share includedir : /usr/include infodir : /usr/share/info lapack : custom libdir : /usr/lib64 libexecdir : /usr/libexec localedir : /usr/share/locale localstatedir : /var mandir : /usr/share/man prefix : /usr sbindir : /usr/bin sharedstatedir : /var/lib sysconfdir : /etc tblite : disabled wrap_mode : nodownload Found ninja-1.13.1 at /usr/bin/ninja ++ date + date='Sun Sep 21 13:53:56 UTC 2025' + cat + ninja -C redhat-linux-build -j 5 --verbose libxtb.a ninja: Entering directory `redhat-linux-build' [1/335] gcc -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ libxtb.so.6.7.1.p/src_mctc_signal.c.o -MF libxtb.so.6.7.1.p/src_mctc_signal.c.o.d -o libxtb.so.6.7.1.p/src_mctc_signal.c.o -c ../src/mctc/signal.c [2/335] /usr/bin/meson --internal depscan libxtb.so.6.7.1.p/depscan.json libxtb.so.6.7.1.p/xtb.dat [3/335] /usr/bin/meson --internal depaccumulate libxtb.so.6.7.1.p/depscan.dd libxtb.so.6.7.1.p/depscan.json [4/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dipro_bondorder.F90.o -c ../src/dipro/bondorder.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [5/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_api_version.f90.o -c ../src/api/version.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [6/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dipro_version.f90.o -c ../src/dipro/version.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [7/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dipro_xtb.F90.o -c ../src/dipro/xtb.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [8/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dipro_fragment.f90.o -c ../src/dipro/fragment.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dipro/fragment.f90:38:16: 38 | real(wp) :: xsum | 1~~~ Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] [9/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_accuracy.f90.o -c ../src/mctc/accuracy.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [10/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_math.f.o -c ../src/gfnff/math.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/gfnff/math.f:61:12: 61 | , rab,rbc,thab,thbc,valijk, | 1~~ Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:61:16: 61 | , rab,rbc,thab,thbc,valijk, | 1~~ Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:62:28: 62 | , vecnorm,nan,nbn,rcn,snanb,deter,pi | 1~~ Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:112:12: 112 | , rab,rbc,thab,thbc,valijkPBC, | 1~~ Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:112:16: 112 | , rab,rbc,thab,thbc,valijkPBC, | 1~~ Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:113:28: 113 | , vecnorm,nan,nbn,rcn,snanb,deter,pi | 1~~ Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] [11/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dipro_output.f90.o -c ../src/dipro/output.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [12/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_generator.f90.o -c ../src/gfnff/generator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [13/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gfnff_rab.f.o -c ../src/gfnff/gfnff_rab.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/gfnff/gfnff_rab.f:32:23: 32 | 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:32:26: 32 | 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:188:23: 188 | 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:188:26: 188 | 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:188:15: 188 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] [14/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_mrec.f90.o -c ../src/gfnff/mrec.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [15/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_data.f90.o -c ../src/gfnff/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [16/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_neighbourlist.f90.o -c ../src/gfnff/neighbourlist.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [17/335] gcc -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ libxtb.so.6.7.1.p/symmetry_symmetry_i.c.o -MF libxtb.so.6.7.1.p/symmetry_symmetry_i.c.o.d -o libxtb.so.6.7.1.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 ; | ^ [18/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_geneigval.f90.o -c ../src/mctc/lapack/geneigval.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [19/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_stdeigval.f90.o -c ../src/mctc/lapack/stdeigval.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [20/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_boundaryconditions.f90.o -c ../src/mctc/boundaryconditions.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [21/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_chartools.f90.o -c ../src/mctc/chartools.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [22/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_filetypes.f90.o -c ../src/mctc/filetypes.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [23/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_io.f90.o -c ../src/mctc/io.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [24/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_namegen.f90.o -c ../src/mctc/namegen.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [25/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_blas_level1.F90.o -c ../src/mctc/blas/level1.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [26/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_resize.f90.o -c ../src/mctc/resize.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/resize.f90:121:23: 121 | integer :: length, order, currentLength | 1~~~~ Warning: Unused variable ‘order’ declared at (1) [-Wunused-variable] [27/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_runtypes.f90.o -c ../src/mctc/runtypes.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [28/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_search.f90.o -c ../src/mctc/search.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [29/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_sort.f90.o -c ../src/mctc/sort.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [30/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_blas_wrap1.f90.o -c ../src/mctc/blas/wrap1.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [31/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_symbols.f90.o -c ../src/mctc/symbols.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [32/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_thresholds.f90.o -c ../src/mctc/thresholds.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [33/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_version.f90.o -c ../src/mctc/version.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [34/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_systools.F90.o -c ../src/mctc/systools.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [35/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_blas_level2.F90.o -c ../src/mctc/blas/level2.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [36/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_mctc_constants.f90.o -c ../src/mctc/mctc_constants.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [37/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_dftd3_parameters.f90.o -c ../src/disp/dftd3_parameters.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [38/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_convert.f90.o -c ../src/mctc/convert.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [39/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_param_atomic_masses.f90.o -c ../src/mctc/param/atomic_masses.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [40/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_param_chemical_hardnesses.f90.o -c ../src/mctc/param/chemical_hardnesses.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [41/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_param_covalent_radii.f90.o -c ../src/mctc/param/covalent_radii.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [42/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_param_electronegativities.f90.o -c ../src/mctc/param/electronegativities.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [43/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_param_pse.f90.o -c ../src/mctc/param/pse.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [44/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_blas_wrap2.f90.o -c ../src/mctc/blas/wrap2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [45/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_param_r4r2_expectation_values.f90.o -c ../src/mctc/param/r4r2_expectation_values.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [46/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_mctc_param.f90.o -c ../src/mctc/mctc_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [47/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_mctc_timings.f90.o -c ../src/mctc/mctc_timings.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_timings.f90:138:25: 138 | character(len=8) :: date | 1~~~ Warning: Unused variable ‘date’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:139:25: 139 | character(len=10) :: time | 1~~~ Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:141:25: 141 | character(len=31) :: timestring | 1~~~~~~~~~ Warning: Unused variable ‘timestring’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:142:22: 142 | integer(int64) :: values(8) | 1~~~~~~~~ Warning: Unused variable ‘values’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:140:25: 140 | character(len=5) :: zone | 1~~~ Warning: Unused variable ‘zone’ declared at (1) [-Wunused-variable] [48/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_blas_level3.F90.o -c ../src/mctc/blas/level3.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [49/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_param_atomicmass.f90.o -c ../src/param/atomicmass.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [50/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_mctc_filetools.f90.o -c ../src/mctc/mctc_filetools.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_filetools.f90:140:36: 140 | character(len=:),allocatable :: tmp | 1~~ Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [51/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_param_atomicrad.f90.o -c ../src/param/atomicrad.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [52/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_param_covalentradd3.f90.o -c ../src/param/covalentradd3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [53/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_dftd4_parameters.f90.o -c ../src/disp/dftd4_parameters.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [54/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_param_paulingen.f90.o -c ../src/param/paulingen.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [55/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_param_sqrtzr4r2.f90.o -c ../src/param/sqrtzr4r2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [56/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_param_vdwradd3.f90.o -c ../src/param/vdwradd3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [57/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_param_vdwradcosmo.f90.o -c ../src/param/vdwradcosmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [58/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_ncoord.F90.o -c ../src/ptb/ncoord.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [59/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_vdzp.F90.o -c ../src/ptb/vdzp.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [60/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_integral_types.F90.o -c ../src/ptb/integral_types.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [61/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_integrals.F90.o -c ../src/ptb/integrals.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [62/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_guess.F90.o -c ../src/ptb/guess.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [63/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_paulixc.F90.o -c ../src/ptb/paulixc.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [64/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_coulomb.F90.o -c ../src/ptb/coulomb.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [65/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_property.F90.o -c ../src/ptb/property.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [66/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_mctc_strings.f90.o -c ../src/mctc/mctc_strings.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [67/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_blas_wrap3.f90.o -c ../src/mctc/blas/wrap3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/blas/wrap3.f90:77:38: 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.f90:61:29: 61 | character(len=1) :: tra, trb | 1~~ Warning: Unused variable ‘trb’ declared at (1) [-Wunused-variable] [68/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_blas.f90.o -c ../src/mctc/blas.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [69/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_cm5.f90.o -c ../src/solv/cm5.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/cm5.f90:34:22: 34 | real(wp) :: dist,bkk,bkkd,bkkda | 1~~~ Warning: Unused variable ‘bkkd’ declared at (1) [-Wunused-variable] [70/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_born.f90.o -c ../src/solv/born.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/born.f90:141:32: 141 | real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12 | 1~~ Warning: Unused variable ‘rh2’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:24: 70 | real(wp) :: th, ch, alpi, beti, gami | 1~~~ Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:30: 70 | real(wp) :: th, ch, alpi, beti, gami | 1~~~ Warning: Unused variable ‘beti’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:36: 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.f90:141:37: note: ‘r1’ was declared here 141 | real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12 | ^~ [71/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_kernel.f90.o -c ../src/solv/kernel.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/kernel.f90:731:29: 731 | real(wp) :: r1, ab, arg, eab, fgb, dfgb, bp | 1~~ Warning: Unused variable ‘eab’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:677:28: 677 | real(wp) :: aa, r2, gg, arg, bp | 1~~ Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:678:26: 678 | real(wp) :: dd, expd, fgb, fgb2, dfgb | 1~~ Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:677:24: 677 | real(wp) :: aa, r2, gg, arg, bp | 1~ Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:672:22: 672 | integer :: i, j, nnj | 1~~ Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:618:28: 618 | real(wp) :: aa, r2, gg, arg, bp | 1~~ Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:618:33: 618 | real(wp) :: aa, r2, gg, arg, bp | 1~ Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:613:22: 613 | integer :: i, j, nnj | 1~~ Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:24: 527 | real(wp) :: gg,expa,aii,egb | 1~~ Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:30: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~~ Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:525:31: 525 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1~~ Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:19: 527 | real(wp) :: gg,expa,aii,egb | 1~~~ Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:525:22: 525 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1~~ Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:16: 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.f90:520:21: 520 | integer :: i,j,k,nnj | 1~~ Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:526:50: 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.f90:528:22: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~ Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:26: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~ Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:16: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~~~ Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:423:24: 423 | real(wp) :: gg,expa,aii,egb | 1~~ Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:30: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~~ Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:421:31: 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.f90:416:21: 416 | integer :: i,j,k,nnj | 1~~ Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:22: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~ Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:26: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~ Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:16: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~~~ Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:311:47: 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.f90:310:58: 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.f90:211:33: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~~ Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:208:35: 208 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1~~ Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:210:20: 210 | real(wp) :: gg, expa | 1~~~ Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:208:24: 208 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1~~ Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:210:16: 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.f90:204:24: 204 | integer :: i, j, k, nnj | 1~~ Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:209:63: 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.f90:211:23: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~ Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:28: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~ Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:16: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~~~ Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:33: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~~ Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:100:35: 100 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1~~ Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:101:36: 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.f90:100:29: 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.f90:96:24: 96 | integer :: i, j, k, nnj | 1~~ Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:23: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~ Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:28: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~ Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:16: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1~~~~ Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] [72/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_state.f90.o -c ../src/solv/state.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [73/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_sasa.f90.o -c ../src/solv/sasa.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/sasa.f90:156:19: 156 | real(wp) :: uj,uj3,ah3uj2 | 1~~ Warning: Unused variable ‘uj3’ declared at (1) [-Wunused-variable] ../src/solv/sasa.f90:76:20: 76 | integer :: iat, jat, ip, jj, nnj, nnk, nni, nno | 1~~ Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/solv/sasa.f90:76:38: 76 | integer :: iat, jat, ip, jj, nnj, nnk, nni, nno | 1~~ Warning: Unused variable ‘nnk’ declared at (1) [-Wunused-variable] [74/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_input.F90.o -c ../src/solv/input.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/solv/input.F90:96:0: 96 | function pgiWrapper(solvent, alpb, kernel, state, temperature, nAng, & Warning: ‘pgiwrapper’ defined but not used [-Wunused-function] [75/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_ddvolume.f90.o -c ../src/solv/ddvolume.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [76/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_data.f90.o -c ../src/ptb/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/ptb/data.f90:277:37: 277 | subroutine writeInfo(self, unit, num) | 1~~ Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [77/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_corebasis.F90.o -c ../src/ptb/corebasis.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [78/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_plusu.F90.o -c ../src/ptb/plusu.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [79/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_atomlist.f90.o -c ../src/type/atomlist.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/atomlist.f90:348:37: 348 | character(len=:), allocatable :: buffer | 1~~~~~ Warning: Unused variable ‘buffer’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:349:28: 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.f90:165:72: 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.f90:165:48: 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.f90:165:56: 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.f90:153:49: 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.f90:153:57: 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.f90:153:1: 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.f90:165:1: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘atomlist_read_formatted’ defined but not used [-Wunused-function] [80/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_basisset.f90.o -c ../src/type/basisset.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [81/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_buffer.f90.o -c ../src/type/buffer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [82/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_fragments.f90.o -c ../src/type/fragments.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [83/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_ddcosmo_core.f90.o -c ../src/solv/ddcosmo/core.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:1395:44: 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.f90:1395:51: 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.f90:1395:59: 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.f90:168:37: 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.f90:168:16: 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.f90:166:15: 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.f90:166:48: 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.f90:166:28: 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.f90:166:55: 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.f90:167:15: 167 | integer :: istatus | 1~~~~~~ Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:20: 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.f90:166:62: 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.f90:166:32: 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.f90:168:41: 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.f90:168:62: 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.f90:168:45: 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.f90:168:51: 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.f90:168:58: 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.f90:1133:1: 1133 | subroutine header(self) | ^~~~~~~~~~~~~~~~~ Warning: ‘header’ defined but not used [-Wunused-function] ../src/solv/ddcosmo/core.f90:1462:6: 1462 | pure subroutine ddmkxi(self, s, xi) | ^~~~~~~~~~~~~~~~~ Warning: ‘ddmkxi’ defined but not used [-Wunused-function] [84/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_dispersion_model.f90.o -c ../src/type/dispersion_model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [85/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_options.f90.o -c ../src/type/options.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [86/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_topology.f90.o -c ../src/gfnff/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/topology.f90:155:0: 155 | 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] [87/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_param.f90.o -c ../src/type/param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [88/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_param.F90.o -c ../src/ptb/param.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [89/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_iohandler.f90.o -c ../src/type/iohandler.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [90/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_hamiltonian.F90.o -c ../src/ptb/hamiltonian.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [91/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_shake_module.f90.o -c ../src/gfnff/shake_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:66:15: 66 | real*8 vel(3) | 1~~~~~ Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:64:15: 64 | real*8 virsh(3),tstep | 1~~~~~~~ Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:32:34: 32 | subroutine init_shake(nat,at,xyz,topo) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/shake_module.f90:43:40: 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.f90:39:31: 39 | integer :: iat,jat,i,j,jmin | 1~~~ Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:43:36: 43 | integer list(nat*(nat+1)/2),lin,ij | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:43:16: 43 | integer list(nat*(nat+1)/2),lin,ij | 1~~~~~~~~~~~~~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:19: 40 | real*8 :: minrij,rij,wthr | 1~~~~~ Warning: Unused variable ‘minrij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:26: 40 | real*8 :: minrij,rij,wthr | 1~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:38:19: 38 | real*8 :: wbo(nat,nat) | 1~~~~~~~~~~~ Warning: Unused variable ‘wbo’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:30: 40 | real*8 :: minrij,rij,wthr | 1~~~ Warning: Unused variable ‘wthr’ declared at (1) [-Wunused-variable] [92/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_pcem.f90.o -c ../src/type/pcem.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [93/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_reader.F90.o -c ../src/type/reader.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [94/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_timer.f90.o -c ../src/type/timer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/timer.f90:175:23: 175 | msg = self%tag(i) | 1 Warning: CHARACTER expression will be truncated in assignment (26/40) at (1) [-Wcharacter-truncation] ../src/type/timer.f90:70:16: 70 | real(wp) :: time_cpu | 1~~~~~~~ Warning: Unused variable ‘time_cpu’ declared at (1) [-Wunused-variable] ../src/type/timer.f90:71:16: 71 | real(wp) :: time_wall | 1~~~~~~~~ Warning: Unused variable ‘time_wall’ declared at (1) [-Wunused-variable] [95/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_environment.f90.o -c ../src/type/environment.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/environment.f90:245:1: 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.f90:254:15: 254 | logical :: isError0 | 1~~~~~~~ Warning: Unused variable ‘iserror0’ declared at (1) [-Wunused-variable] ../src/type/environment.f90:196:15: 196 | integer :: iLog | 1~~~ Warning: Unused variable ‘ilog’ declared at (1) [-Wunused-variable] [96/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_topology.f90.o -c ../src/type/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/topology.f90:122:26: 122 | integer :: pos, last, length | 1~~~~~ Warning: Unused variable ‘length’ declared at (1) [-Wunused-variable] ../src/type/topology.f90:122:15: 122 | integer :: pos, last, length | 1~~ Warning: Unused variable ‘pos’ declared at (1) [-Wunused-variable] [97/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_setvar.f90.o -c ../src/type/setvar.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [98/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_coulomb_ewald.f90.o -c ../src/coulomb/ewald.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/ewald.f90:389:26: 389 | character(len=100) :: errorString | 1~~~~~~~~~~ Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:321:26: 321 | character(len=100) :: errorString | 1~~~~~~~~~~ Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:239:26: 239 | character(len=100) :: errorString | 1~~~~~~~~~~ Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] [99/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_ddcosmo_solver.f90.o -c ../src/solv/ddcosmo/solver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/ddcosmo/solver.f90:532:20: 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.f90:466:24: 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.f90:425:20: 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.f90:89:25: 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.f90:93:66: note: ‘bmat.dim[0].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^~~~~~~~~~ ../src/solv/ddcosmo/solver.f90:93:66: 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.f90:93:52: 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.f90:93:52: 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.f90:93:52: note: ‘e_diis.dim[1].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^~~~~~~~~~~~ [100/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_gst.f90.o -c ../src/mctc/lapack/gst.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [101/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_trf.f90.o -c ../src/mctc/lapack/trf.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/lapack/trf.f90:393:36: 393 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1~~~~~~~~~~~ Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] ../src/mctc/lapack/trf.f90:362:36: 362 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1~~~~~~~~~~~ Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] [102/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_tri.f90.o -c ../src/mctc/lapack/tri.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [103/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_mctc_global.F90.o -c ../src/mctc/mctc_global.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [104/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_frag_hess.f90.o -c ../src/gfnff/frag_hess.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/frag_hess.f90:207:36: 207 | 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.f90:483:1: 43 | subroutine eigsort4(lab,ew,u) | 2~~~~~~~~~~~~~~~~~~ ...... 483 | subroutine eigsort4(lab,u,ew) | 1~~~~~~~~~~~~~~~~~~ Warning: INTENT mismatch in argument 'lab' between (1) and (2) ../src/gfnff/frag_hess.f90:415:0: 24 | function shortest_distance(nspin, start, goal, numnb, neighbours, input_distances, visited, precessor) ...... 415 | function shortest_distance(nspin, start, goal, numnb, neighbours, input_distances, visited, precessor) Warning: Rank mismatch in argument 'neighbours' (2/3) between (1) and (2) ../src/gfnff/frag_hess.f90:342:47: 342 | integer :: i,j,ii,jj,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:88:21: 88 | integer :: assigned_to_frag(nspin) | 1~~~~~~~~~~~~~~~~~~~~~~ Warning: Unused variable ‘assigned_to_frag’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:514:23: 514 | pure subroutine com(n,at,xyz,sum3) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [105/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_mctc_init.F90.o -c ../src/mctc/mctc_init.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-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] [106/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_error.f90.o -c ../src/mctc/error.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/error.f90:69:24: 69 | subroutine xtb_wsigint(signal) bind(c) | 1~~~~~ Warning: Unused dummy argument ‘signal’ at (1) [-Wunused-dummy-argument] ../src/mctc/error.f90:78:25: 78 | subroutine xtb_wsigterm(signal) bind(c) | 1~~~~~ Warning: Unused dummy argument ‘signal’ at (1) [-Wunused-dummy-argument] [107/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_solvation.f90.o -c ../src/type/solvation.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [108/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_trs.f90.o -c ../src/mctc/lapack/trs.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [109/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_lebedev.f90.o -c ../src/solv/lebedev.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [110/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_eigensolve.F90.o -c ../src/mctc/lapack/eigensolve.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [111/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_wavefunction.f90.o -c ../src/type/wavefunction.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [112/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_neighbourlist.f90.o -c ../src/type/neighbourlist.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [113/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack_wrap.f90.o -c ../src/mctc/lapack/wrap.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [114/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_wsc.f90.o -c ../src/type/wsc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [115/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_lapack.f90.o -c ../src/mctc/lapack.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [116/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_vendordata.f90.o -c ../src/type/vendordata.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [117/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_restart.F90.o -c ../src/type/restart.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [118/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_freq_utils.f90.o -c ../src/freq/utils.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [119/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_mmlpopanalysis.F90.o -c ../src/ptb/mmlpopanalysis.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [120/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_wignerseitzcell.f90.o -c ../src/type/wignerseitzcell.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/wignerseitzcell.f90:121:25: 121 | integer :: iTr, iAt, iAtOld, jAt, jAtEnd, iWs, nWs | 1~~~~~ Warning: Unused variable ‘iatold’ declared at (1) [-Wunused-variable] ../src/type/wignerseitzcell.f90:122:30: 122 | real(wp) :: ri(3), dist2, trans(3), wsWeight | 1~~~~~~~ Warning: Unused variable ‘trans’ declared at (1) [-Wunused-variable] [121/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_tblite_restart.F90.o -c ../src/tblite/restart.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/tblite/restart.F90:79:29: 79 | subroutine dumpRestart(env, chk, fname) | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:79:34: 79 | subroutine dumpRestart(env, chk, fname) | 1~~~~ Warning: Unused dummy argument ‘fname’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:34:29: 34 | subroutine loadRestart(env, chk, fname, success) | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:34:34: 34 | subroutine loadRestart(env, chk, fname, success) | 1~~~~ Warning: Unused dummy argument ‘fname’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:34:41: 34 | subroutine loadRestart(env, chk, fname, success) | 1~~~~~~ Warning: Dummy argument ‘success’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] [122/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_math.f90.o -c ../src/mctc/math.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [123/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_anharmlib.f90.o -c ../src/anharmlib.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/anharmlib.f90:34:25: 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.f90:34:21: note: ‘mem’ was declared here 34 | integer i,j,k,kk,mem,it1,it2,icall | ^~~ [124/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_aoparam.f90.o -c ../src/aoparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [125/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mctc_linalg.f90.o -c ../src/mctc/linalg.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:306:28: 306 | real(dp),allocatable :: temp(:) | 1~~~~~~ Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/mctc/linalg.f90:271:28: 271 | real(sp),allocatable :: temp(:) | 1~~~~~~ Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] [126/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_approxrab.f90.o -c ../src/approxrab.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/approxrab.f90:216:15: 216 | integer :: iat,jat,ati,atj | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:216:19: 216 | integer :: iat,jat,ati,atj | 1~~ Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:200:33: 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.f90:163:15: 163 | integer :: iat,jat,ati,atj | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:163:19: 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.f90:168:19: 168 | real(wp) :: ff,tmp | 1~~ Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:15: 117 | integer :: iat,jat,ati,atj | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:19: 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.f90:98:37: 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] [127/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_bfgs.f90.o -c ../src/bfgs.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bfgs.f90:131:34: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1~~~ Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:46: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1~~~~ Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:40: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1~~~~ Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:105:24: 105 | subroutine powell(nat3,gnorm,grad,grado,dx,hess) | 1~~~~ Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:131:28: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1~~~ Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:34: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1~~~ Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:46: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1~~~~ Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:40: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1~~~~ Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:16: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1~~~ Warning: Unused variable ‘ddot’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:20:22: 20 | subroutine bfgs(nat3,gnorm,grad,grado,dx,hess) | 1~~~~ Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:48:28: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1~~~ Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] [128/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_blowsy.f90.o -c ../src/blowsy.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [129/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_basic_geo.f90.o -c ../src/basic_geo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/basic_geo.f90:380:24: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1~~~ Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:380:29: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1~~~ Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:16: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1~~ Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:20: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1~~ Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:260:32: 260 | real(wp) vecnorm,nan,nbn,rcn,snanb,deter,test | 1~~ Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:38: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1~~~ Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:43: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1~~~ Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:107:50: 107 | real(wp) xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1~ Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] [130/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_broyden.f90.o -c ../src/broyden.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:62:13: 62 | real(wp) tmp(n) | 1~~~~~ Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [131/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_cosmo.f90.o -c ../src/solv/cosmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/cosmo.f90:835:39: 835 | subroutine writeCosmoFile(self, unit, num, sym, xyz, qat, energy) | 1~~ Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:810:13: 810 | real(wp) rcutn2, srcut2 | 1~~~~~ Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:719:28: 719 | integer :: iat, ig, ii, c1, c2, cr | 1~ Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:719:32: 719 | integer :: iat, ig, ii, c1, c2, cr | 1~ Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:719:36: 719 | integer :: iat, ig, ii, c1, c2, cr | 1~ Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:722:62: 722 | real(wp), allocatable :: xi(:, :), phiexp(:, :), zeta(:), ef(:, :) | 1~~~~~~~ Warning: Unused variable ‘ef’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:720:16: 720 | real(wp) :: fep | 1~~ Warning: Unused variable ‘fep’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:722:53: 722 | real(wp), allocatable :: xi(:, :), phiexp(:, :), zeta(:), ef(:, :) | 1~~~~~~ Warning: Unused variable ‘zeta’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:646:43: 646 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~ Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:646:47: 646 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~ Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:646:51: 646 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~ Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:650:30: 650 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1~~~~~~ Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:646:37: 646 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:646:20: 646 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~~~~~~ Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:647:21: 647 | real(wp) :: tol, r_norm | 1~~~~~ Warning: Unused variable ‘r_norm’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:650:39: 650 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1~~~~~~~~ Warning: Unused variable ‘rhs’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:650:50: 650 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1~~~~~~~~~ Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:549:43: 549 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~ Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:549:47: 549 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~ Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:549:51: 549 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~ Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:549:37: 549 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:550:21: 550 | real(wp) :: tol, r_norm | 1~~~~~ Warning: Unused variable ‘r_norm’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:553:50: 553 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1~~~~~~~~~ Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:401:23: 401 | real(wp) :: xx(1), esolv, keps | 1~~~~ Warning: Unused variable ‘esolv’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:374:35: 374 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1~~ Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:374:50: 374 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1~~ Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:401:16: 401 | real(wp) :: xx(1), esolv, keps | 1~~~~ Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:374:40: 374 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:347:28: 347 | subroutine getEnergy(self, env, qat, qsh, energy) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:347:33: 347 | subroutine getEnergy(self, env, qat, qsh, energy) | 1~~ Warning: Unused dummy argument ‘qat’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:347:38: 347 | subroutine getEnergy(self, env, qat, qsh, energy) | 1~~ Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:289:37: 289 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1~~ Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:289:55: 289 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1~~~~~~~~~ Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:247:25: 247 | subroutine update(self, env, num, xyz) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:247:30: 247 | subroutine update(self, env, num, xyz) | 1~~ Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [132/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_constrain_pot.f90.o -c ../src/constrain_pot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:284:39: 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.f90:284:44: 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.f90:284:49: 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.f90:265:37: 265 | subroutine constrain_dihedral(fix,n,at,xyz,g,e) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:282:12: 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.f90:283:12: 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.f90:282:55: 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.f90:280:44: 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.f90:280:60: 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.f90:280:52: 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.f90:282:46: 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.f90:282:31: 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.f90:279:19: 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.f90:283:49: 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.f90:283:54: 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.f90:284:12: 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.f90:284:15: 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.f90:284:18: 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.f90:282:60: 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.f90:284:59: 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.f90:284:64: 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.f90:283:46: 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.f90:279:26: 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.f90:279:23: 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.f90:279:36: 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.f90:282:15: 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.f90:279:42: 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.f90:282:20: 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.f90:279:12: 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.f90:282:34: 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.f90:282:40: 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.f90:282:52: 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.f90:284:21: 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.f90:284:27: 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.f90:284:33: 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.f90:282:25: 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.f90:280:12: 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.f90:280:30: 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.f90:280:18: 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.f90:280:24: 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.f90:280:37: 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.f90:282:63: 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.f90:279:30: 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.f90:284:56: 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.f90:225:39: 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.f90:225:44: 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.f90:225:49: 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.f90:208:34: 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.f90:223:12: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:19: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:26: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:33: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:19: 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.f90:225:12: 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.f90:225:15: 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.f90:225:18: 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.f90:225:59: 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.f90:225:64: 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.f90:221:26: 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.f90:221:23: 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.f90:221:36: 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.f90:221:42: 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.f90:221:12: 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.f90:225:21: 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.f90:225:27: 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.f90:225:33: 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.f90:224:63: 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.f90:225:56: 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.f90:182:39: 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.f90:182:44: 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.f90:182:49: 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.f90:165:33: 165 | subroutine constrain_dist(fix,n,at,xyz,g,e) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:180:12: 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.f90:181:12: 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.f90:180:55: 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.f90:179:12: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:19: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:26: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:33: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1~~~~~ Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:44: 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.f90:178:60: 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.f90:178:52: 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.f90:180:46: 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.f90:181:42: 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.f90:181:24: 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.f90:180:31: 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.f90:181:57: 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.f90:182:12: 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.f90:182:15: 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.f90:182:18: 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.f90:180:60: 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.f90:182:59: 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.f90:182:64: 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.f90:181:20: 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.f90:181:15: 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.f90:177:34: 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.f90:180:15: 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.f90:177:40: 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.f90:180:20: 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.f90:180:34: 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.f90:180:40: 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.f90:180:52: 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.f90:182:21: 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.f90:182:27: 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.f90:182:33: 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.f90:180:25: 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.f90:178:12: 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.f90:178:30: 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.f90:181:46: 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.f90:178:18: 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.f90:178:24: 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.f90:178:37: 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.f90:180:63: 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.f90:177:28: 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.f90:181:30: 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.f90:181:36: 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.f90:182:56: 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.f90:88:28: 88 | subroutine qpothess2(fix,n,at,xyz,h) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:99:38: 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.f90:99:19: 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.f90:99:16: 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.f90:99:22: 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.f90:99:25: 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.f90:46:32: 46 | subroutine constrain_pos(fix,n,at,xyz,g,e) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:20:34: 20 | subroutine constrain_zaxis(fix,n,at,xyz,g,e) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [133/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_data.f90.o -c ../src/xtb/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/data.f90:690:38: 690 | integer :: nElem, iZp, iSh, lAng, iKind | 1~~~~ Warning: Unused variable ‘ikind’ declared at (1) [-Wunused-variable] ../src/xtb/data.f90:619:30: 619 | subroutine initCoulomb(self, nShell, chemicalHardness, shellHardness, & | 1~~~~~ Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/xtb/data.f90:368:34: 368 | subroutine writeInfo(self, unit, num) | 1~~ Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [134/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_cqpath.f90.o -c ../src/cqpath.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:512:36: 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.f90:521:25: 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.f90:487:18: 487 | integer :: i,so,sr | 1~ Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:13: 344 | real(8) fs_x0,fs_x1,fss_x0,fss_x1 | 1~~~~ Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:19: 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.f90:345:13: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:16: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:19: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:22: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:25: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:28: 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.f90:45:16: 45 | real(8) :: strecke_X_inc, temp_strecke_X | 1~~~~~~~~~~~~ Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:45:31: 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.f90:151:13: note: ‘x_wert’ was declared here 151 | real(8) x_wert, x_anfang, x_ende, x_schritt | ^~~~~~ [135/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_gbsa.f90.o -c ../src/solv/gbsa.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:1096:16: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1~ Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:24: 1098 | real(wp) :: gg,expa,aii,egb | 1~~ Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:44: 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.f90:1099:30: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~~ Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:47: 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.f90:1096:31: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1~~ Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:19: 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.f90:1097:27: 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.f90:1097:32: 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.f90:1097:38: 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.f90:1101:16: 1101 | real(wp) :: dr(3),r | 1~~~~ Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:19: 1098 | real(wp) :: gg,expa,aii,egb | 1~~~ Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:22: 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.f90:1096:22: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1~~ Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:26: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1~~~ Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:16: 1098 | real(wp) :: gg,expa,aii,egb | 1~ Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1100:16: 1100 | real(wp) :: grddbi,grddbj | 1~~~~~ Warning: Unused variable ‘grddbi’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1100:23: 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.f90:1092:15: 1092 | integer :: kk | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:21: 1091 | integer :: i,j,k,nnj | 1~~ Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:50: 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.f90:1097:16: 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.f90:1099:22: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~ Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:26: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~ Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:16: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1~~~~ Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:19: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1033:39: 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.f90:1012:22: 1012 | real(wp) :: hbed, dhbed | 1~~~~ Warning: Unused variable ‘dhbed’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:21: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1~~~ Warning: Unused variable ‘dsfw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1012:16: 1012 | real(wp) :: hbed, dhbed | 1~~~ Warning: Unused variable ‘hbed’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1011:16: 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.f90:1011:20: 1011 | integer :: iz, nhb | 1~~ Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1013:30: 1013 | real(wp) :: smaxd, sasad, sasaw | 1~~~~ Warning: Unused variable ‘sasaw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:16: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1~~ Warning: Unused variable ‘sfw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:35: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1~ Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:31: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1~ Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:27: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1~ Warning: Unused variable ‘w3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1016:21: 1016 | real(wp) :: wbh, wah | 1~~ Warning: Unused variable ‘wah’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1016:16: 1016 | real(wp) :: wbh, wah | 1~~ Warning: Unused variable ‘wbh’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:932:47: 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.f90:948:13: 948 | real(wp) rcutn2, lrcut2, srcut2 | 1~~~~~ Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:851:13: 851 | real(wp) rcutn2, lrcut2, srcut2 | 1~~~~~ Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:603:30: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:603:35: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1~~ Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:603:50: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1~~ Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:555:33: 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.f90:555:43: 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.f90:528:28: 528 | subroutine getEnergy(self, env, qat, qsh, energy) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:528:38: 528 | subroutine getEnergy(self, env, qat, qsh, energy) | 1~~ Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:27: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:37: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1~~ Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:55: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1~~~~~~~~~ Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:32: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:37: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1~~ Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:42: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:220:27: 220 | subroutine initBorn(self, env, num, vdwRad, dielectricConst, freeEnergyShift, & | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] [136/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_multipole.f90.o -c ../src/xtb/multipole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [137/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_david2.f90.o -c ../src/david2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/david2.f90:250:29: 250 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1~~~~~~ Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david2.f90:241:40: 241 | integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2 | 1~~ Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable] ../src/david2.f90:239:17: 239 | integer iter,ineue(1),janf!,lun1,lun2 | 1~~~~~~~ Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable] ../src/david2.f90:239:26: 239 | integer iter,ineue(1),janf!,lun1,lun2 | 1~~~ Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable] ../src/david2.f90:240:46: 240 | integer iideks(maxiter),idum,j,jalt,ilauf,jneu | 1~~~ Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable] ../src/david2.f90:250:43: 250 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1~~~~~~~~~ Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david2.f90:52:29: 52 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1~~~~~~ Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david2.f90:45:40: 45 | integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2 | 1~~ Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable] ../src/david2.f90:43:17: 43 | integer iter,ineue(1),janf,lun1,lun2 | 1~~~~~~~ Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable] ../src/david2.f90:43:26: 43 | integer iter,ineue(1),janf,lun1,lun2 | 1~~~ Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable] ../src/david2.f90:44:46: 44 | integer iideks(maxiter),idum,j,jalt,ilauf,jneu | 1~~~ Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable] ../src/david2.f90:52:43: 52 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1~~~~~~~~~ Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] [138/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_thirdorder.f90.o -c ../src/xtb/thirdorder.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [139/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_charge_model.f90.o -c ../src/charge_model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [140/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_define.f90.o -c ../src/define.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [141/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_gfn1.f90.o -c ../src/xtb/gfn1.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn1.f90:710:15: 710 | logical :: valShell(0:3) | 1~~~~~~~~~~~~ Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:636:15: 636 | integer :: iZp, iSh, jSh | 1~~ Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:635:30: 635 | integer :: mShell, nPrim, lAng | 1~~~ Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:635:23: 635 | integer :: mShell, nPrim, lAng | 1~~~~ Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:637:15: 637 | logical :: valShell(0:3) | 1~~~~~~~~~~~~ Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] [142/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_elem.f90.o -c ../src/elem.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [143/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_coulomb.f90.o -c ../src/xtb/coulomb.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [144/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_eqrot.f90.o -c ../src/eqrot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [145/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_expire.f90.o -c ../src/expire.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [146/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_features.F90.o -c ../src/features.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [147/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_foden.f90.o -c ../src/foden.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [148/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_david.f.o -c ../src/david.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/david.f:653:17: 653 | integer i,m,mp1 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/david.f:653:19: 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:328:19: 328 | integer i,m,mp1 | 1~~ Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable] ../src/david.f:60:30: 60 | real*8, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1~~~~~~ Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david.f:60:44: 60 | real*8, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1~~~~~~~~~ Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david.f:385:30: 385 | real*4, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1~~~~~~ Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david.f:385:44: 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:54:66: 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:379:66: warning: ‘memlun2’ may be used uninitialized [-Wmaybe-uninitialized] 379 | integer lauf,l1,l2,k,LWORK,LIWORK,INFO,ianf,i,ien,ico,ialt,memlun2 | ^~~~~~~ [149/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_fragment.f90.o -c ../src/fragment.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/fragment.f90:75:35: 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] [150/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_fixparam.f90.o -c ../src/fixparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:86:29: 86 | integer :: i,ii,j,k,l,m,mm | 1~ Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] [151/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfn0param.f90.o -c ../src/gfn0param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [152/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_getsymnum.f90.o -c ../src/getsymnum.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [153/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_drsp.f.o -c ../src/drsp.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../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:418:30: 418 | SUBROUTINE TRBAK3(NM,N,NV,A,M,Z) | 1~ Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:502:38: 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:502:42: 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:502:26: 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:60:16: 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 | ^ [154/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ifind.f90.o -c ../src/ifind.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:22:14: note: ‘mem’ was declared here 22 | integer i,mem | ^~~ [155/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfn_prparam.f90.o -c ../src/gfn_prparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfn_prparam.f90:18:36: 18 | subroutine gfn1_prparam(iunit,n,at,par) | 1~~ Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:84:36: 84 | subroutine gfn2_prparam(iunit,n,at,par) | 1~~ Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:142:36: 142 | subroutine gfn0_prparam(iunit,n,at,par) | 1~~ Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] [156/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lin.f90.o -c ../src/lin.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [157/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lin_mod.f90.o -c ../src/lin_mod.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [158/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lindh.f90.o -c ../src/lindh.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:165:46: 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.f90:166:40: 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.f90:165:62: 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.f90:166:23: 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.f90:165:38: 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.f90:166:31: 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.f90:165:54: 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.f90:166:15: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1~~~~~ Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] [159/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_halogen.f90.o -c ../src/xtb/halogen.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/halogen.f90:47:19: 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.f90:47:16: 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.f90:47:22: 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.f90:45:32: 45 | real(wp) :: cc,r0ax,t13,t14,t16 | 1~~ Warning: Unused variable ‘t16’ declared at (1) [-Wunused-variable] [160/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dtrafo.f90.o -c ../src/dtrafo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dtrafo.f90:248:23: 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.f90:34:23: 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.f90:34:34: 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] [161/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_locmode.f90.o -c ../src/locmode.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/locmode.f90:22:25: 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.f90:32:41: 32 | real(wp),allocatable:: d(:,:),u(:,:),bmat(:,:),rr(:), fl2(:) | 1~~~~~~~~ Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:28: 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.f90:29:55: 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.f90:30:34: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1~~~~~~~ Warning: Unused variable ‘tors’ declared at (1) [-Wunused-variable] ../src/locmode.f90:30:26: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1~~~~~~ Warning: Unused variable ‘vtyp’ declared at (1) [-Wunused-variable] ../src/locmode.f90:22:28: 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.f90:29:44: note: ‘highest’ was declared here 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | ^~~~~~~ [162/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_intpack.f90.o -c ../src/intpack.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intpack.f90:1436:26: 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.f90:38:21: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1~~~ Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/intpack.f90:38:32: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1~~~~ Warning: Unused variable ‘efact’ declared at (1) [-Wunused-variable] [163/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_makel.f90.o -c ../src/makel.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [164/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dipole.f90.o -c ../src/dipole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dipole.f90:94:26: 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.f90:38:63: 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.f90:39:25: 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.f90:37:35: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1~ Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:38: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1~ Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:30: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1~ Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:47: 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.f90:37:41: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1~ Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:44: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1~ Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:40: 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.f90:38:43: 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] [165/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_model.f90.o -c ../src/solv/model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/model.f90:187:15: 187 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [166/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_matinv.f90.o -c ../src/matinv.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [167/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_onetri.f90.o -c ../src/onetri.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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) [168/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ls_rmsd.f90.o -c ../src/ls_rmsd.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/ls_rmsd.f90:57:34: 57 | real(dp), dimension(4,4) :: S, dS | 1~ Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:39: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1~ Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:43: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1~ Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:47: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1~ Warning: Unused variable ‘y3’ declared at (1) [-Wunused-variable] [169/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_hlex.f90.o -c ../src/hlex.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/hlex.f90:20:21: 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.f90:20:42: 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.f90:37:27: 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] [170/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_neighbor.f90.o -c ../src/neighbor.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/neighbor.f90:178:44: 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.f90:178:24: 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.f90:176:26: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:29: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:32: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:35: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1~ Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:23: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1~ Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:178:32: 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.f90:178:29: 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.f90:241:35: 241 | real(wp) rad(94),r,rr,rco,r2,f,a1 | 1~ Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:26: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:29: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:32: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:35: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1~ Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:23: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1~ Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:241:23: 241 | real(wp) rad(94),r,rr,rco,r2,f,a1 | 1~ Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] [171/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_pbc.f90.o -c ../src/pbc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [172/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_pqn.f90.o -c ../src/pqn.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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) | ^ [173/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_pbc_tools.f90.o -c ../src/pbc_tools.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [174/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_printmold.f90.o -c ../src/printmold.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/printmold.f90:49:25: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1~~~~~ Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:49:41: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1~~ Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] ../src/printmold.f90:158:11: 158 | real*8 dum | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:25: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1~~~~~ Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:41: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1~~ Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] [175/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_pseudodiag.f90.o -c ../src/pseudodiag.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:48:16: 48 | integer :: bound | 1~~~~ Warning: Unused variable ‘bound’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:44:33: 44 | integer:: blocksize, batch, dest, nproc | 1~~~ Warning: Unused variable ‘dest’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:57:35: 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.f90:43:33: 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] [176/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_qsort.f90.o -c ../src/qsort.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qsort.f90:69:21: 69 | integer :: i, j, ii | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] [177/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_readl2.f90.o -c ../src/readl2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [178/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_readl.f90.o -c ../src/readl.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [179/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_aespot.f90.o -c ../src/aespot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/aespot.f90:22:34: 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.f90:23:34: 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.f90:1121:37: 1121 | subroutine gfn2broyden_out(n,istart,nbr,q_in,dipm,qp) | 1~~ Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1097:38: 1097 | subroutine gfn2broyden_save(n,istart,nbr,dipm,qp,q_in) | 1~~ Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1075:38: 1075 | subroutine gfn2broyden_diff(n,istart,nbr,dipm,qp,q_in,dq) | 1~~ Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1037:17: 1037 | real(wp) rco,f1,f2 | 1~ Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1037:20: 1037 | real(wp) rco,f1,f2 | 1~ Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1014:14: 1014 | integer i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1014:16: 1014 | integer i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1013:23: 1013 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1~ Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1013:26: 1013 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1~ Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1013:29: 1013 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1~~~ Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1013:34: 1013 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1~~~ Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:989:14: 989 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:934:28: 934 | subroutine mmomgabzero(nat,at,xyz,kdmp3,kdmp5,radcn,gab3,gab5) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:943:20: 943 | integer i,j,k,l,lin | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:891:18: 891 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:891:20: 891 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:891:29: 891 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1~ Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:891:32: 891 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1~ Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:785:27: 785 | subroutine aniso_grad(nat,at,xyz,q,dipm,qp,kdmp3,kdmp5, & | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:796:23: 796 | 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.f90:796:27: 796 | 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.f90:796:31: 796 | 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.f90:800:22: 800 | integer i,j,k,l,m,ki,kj,kl | 1~ Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:800:20: 800 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:798:43: 798 | real(wp) dgab3,dgab5,damp1,damp2,ddamp,qs2 | 1~~ Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:34: 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.f90:587:40: 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.f90:589:35: 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.f90:589:29: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1~ Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:586:49: 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.f90:587:18: 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.f90:587:22: 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.f90:586:57: 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.f90:587:26: 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.f90:586:61: 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.f90:587:30: 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.f90:459:34: 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.f90:459:40: 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.f90:461:35: 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.f90:461:29: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1~ Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:18: 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.f90:459:22: 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.f90:459:26: 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.f90:459:30: 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.f90:406:32: 406 | integer i,j,k,l,ii,jj,ij,kl,kj | 1~ Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:406:29: 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.f90:296:22: 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.f90:289:42: 289 | real(wp) edd,e01,e02,e11,r2,tt,tt3,q1,qs2 | 1~~ Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:150:32: 150 | integer i,j,k,l,ii,jj,kl,kj,lin | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:113:13: 113 | real(wp) aesi | 1~~~ Warning: Unused variable ‘aesi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:109:28: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:109:31: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1~~~ Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:114:14: 114 | integer i,iat | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/aespot.f90:92:26: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:92:29: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1~~~ Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:96:14: 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.f90:47:22: 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.f90:47:25: 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.f90:47:28: 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.f90:44:17: 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.f90:44:20: 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.f90:44:13: 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.f90:44:26: 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.f90:44:29: 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.f90:44:32: 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.f90:44:35: 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.f90:43:23: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1~~~ Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:43:28: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1~~~ Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:23: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1~ Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] [180/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_prmat.f90.o -c ../src/prmat.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [181/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_rmrottr.f90.o -c ../src/rmrottr.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:27:23: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1~~~ Warning: Unused variable ‘fixx’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:38: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1~~~ Warning: Unused variable ‘fixy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:43: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1~~~ Warning: Unused variable ‘fixz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:28: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1~~~ Warning: Unused variable ‘fiyy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:48: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1~~~ Warning: Unused variable ‘fiyz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:33: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1~~~ Warning: Unused variable ‘fizz’ declared at (1) [-Wunused-variable] [182/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_rmsd.f90.o -c ../src/rmsd.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rmsd.f90:64:29: 64 | character*80 atmp1,atmp2,atmp | 1~~~ Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/rmsd.f90:68:14: 68 | integer n,idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] [183/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_shiftlp.f90.o -c ../src/shiftlp.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/shiftlp.f90:19:22: 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.f90:25:45: 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.f90:25:51: 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.f90:25:57: note: ‘zsave’ was declared here 25 | real(wp) r0,r1,r2,exmin,eymin,ezmin,rmin,xsave,ysave,zsave,rmax | ^~~~~ [184/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_slater.f90.o -c ../src/slater.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [185/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_setparam.f90.o -c ../src/setparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/setparam.f90:210:23: 210 | integer,private :: idum | 1~~~ Warning: Unused PRIVATE module variable ‘idum’ declared at (1) [-Wunused-value] [186/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_molecule.f90.o -c ../src/type/molecule.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/molecule.f90:738:16: 738 | integer :: i,iat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:688:20: 688 | integer :: iat,info | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:686:54: 686 | 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.f90:686:46: 686 | 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.f90:228:25: 228 | integer :: nAt, nId, iAt, iId | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:226:28: 226 | integer, allocatable :: id(:) | 1~~~~ Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:228:30: 228 | integer :: nAt, nId, iAt, iId | 1~~ Warning: Unused variable ‘iid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:228:20: 228 | integer :: nAt, nId, iAt, iId | 1~~ Warning: Unused variable ‘nid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:227:48: 227 | character(len=symbolLength), allocatable :: sTmp(:) | 1~~~~~~ Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:646:0: 646 | 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.f90:566:63: warning: ‘__result_ncore’ may be used uninitialized [-Wmaybe-uninitialized] 566 | self%z(i) = real(self%at(i),wp) - real(ncore(self%at(i))) | ^ ../src/type/molecule.f90:571:37: note: ‘__result_ncore’ was declared here 571 | pure elemental integer function ncore(at) | ^ [187/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_api_utils.f90.o -c ../src/api/utils.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [188/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_scanparam.f90.o -c ../src/scanparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scanparam.f90:121:34: 121 | subroutine setup_constrain_pot(n,at,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [189/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_intgrad.f90.o -c ../src/intgrad.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intgrad.f90:1300:24: 1300 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1~ Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1303:13: 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.f90:1307:46: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1~~ Warning: Unused variable ‘hav’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:36: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1~~ Warning: Unused variable ‘hii’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:41: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1~~ Warning: Unused variable ‘hjj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1299:28: 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.f90:1304:60: 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.f90:1307:32: 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.f90:1265:55: 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.f90:1265:50: 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.f90:1303:21: 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.f90:1307:51: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1~~~~~ Warning: Unused variable ‘shpoly’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1300:13: 1300 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1~~~ Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:24: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1~~~~~ Warning: Unused variable ‘zetaij’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:16: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1~ Warning: Unused variable ‘zi’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:20: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1~ Warning: Unused variable ‘zj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1208:42: 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.f90:1208:47: 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.f90:1070:51: 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.f90:1075:13: 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.f90:1069:13: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:16: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:19: 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.f90:1074:26: 1074 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1~ Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1074:29: 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.f90:1067:37: 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.f90:1067:40: 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.f90:1067:34: 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.f90:1067:43: 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.f90:1067:46: 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.f90:1067:28: 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.f90:1067:49: 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.f90:1067:52: 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.f90:1067:31: 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.f90:1035:42: 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.f90:1075:21: 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.f90:1070:17: 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.f90:1070:20: 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.f90:1069:32: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~ Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:27: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:22: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:13: 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.f90:1068:33: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:38: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~~ Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:26: 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.f90:1070:29: 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.f90:1070:32: 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.f90:1070:35: 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.f90:1070:38: 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.f90:1068:23: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:28: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:23: 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.f90:974:47: 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.f90:898:47: 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.f90:823:41: 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.f90:802:74: 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.f90:751:41: 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.f90:607:55: 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.f90:557:49: 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.f90:509:46: 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.f90:509:50: 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.f90:474:40: 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.f90:474:44: 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] [190/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_freq_io.f90.o -c ../src/freq/io.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/freq/io.f90:81:27: 81 | character(len=5) :: adum | 1~~~ Warning: Unused variable ‘adum’ declared at (1) [-Wunused-variable] [191/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_basisset.f90.o -c ../src/xtb/basisset.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:40:16: 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.f90:42:33: 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.f90:42:36: 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.f90:41:75: 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.f90:42:46: 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.f90:41:80: 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.f90:42:60: 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.f90:42:39: 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.f90:42:54: 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.f90:42:49: 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.f90:407:1: 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.f90:450:1: 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] [192/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_freq_project.f90.o -c ../src/freq/project.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [193/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_reader_genformat.f90.o -c ../src/io/reader/genformat.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/genformat.f90:45:36: 45 | integer :: error, ndim, ii, jj, jbatch, iline | 1~~~~~ Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable] ../src/io/reader/genformat.f90:43:37: 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.f90:45:15: note: ‘error’ declared here 45 | integer :: error, ndim, ii, jj, jbatch, iline | ^~~~~ [194/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_writer_gaussian.f90.o -c ../src/io/writer/gaussian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [195/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_writer_orca.f90.o -c ../src/io/writer/orca.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [196/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_writer_turbomole.f90.o -c ../src/io/writer/turbomole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [197/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_writer.f90.o -c ../src/io/writer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/writer.f90:36:61: 36 | subroutine writeMolecule(self, unit, format, energy, gnorm, number) | 1~~~~~ Warning: Unused dummy argument ‘number’ at (1) [-Wunused-dummy-argument] [198/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_iff_data.f90.o -c ../src/iff/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [199/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_solv_cpx.F90.o -c ../src/solv/cpx.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/solv/cpx.F90:77:78: 77 | subroutine calculate_cpcmx(self,env,solvent,energy_gas,probe,T,max_cycle,conv_crit,total_energy) | 1~~~~~~~~ Warning: Unused dummy argument ‘conv_crit’ at (1) [-Wunused-dummy-argument] ../src/solv/cpx.F90:77:49: 77 | subroutine calculate_cpcmx(self,env,solvent,energy_gas,probe,T,max_cycle,conv_crit,total_energy) | 1~~~~~~~~~ Warning: Unused dummy argument ‘energy_gas’ at (1) [-Wunused-dummy-argument] ../src/solv/cpx.F90:86:42: 86 | type(error_type), allocatable :: error | 1~~~~ Warning: Unused variable ‘error’ declared at (1) [-Wunused-variable] ../src/solv/cpx.F90:77:68: 77 | subroutine calculate_cpcmx(self,env,solvent,energy_gas,probe,T,max_cycle,conv_crit,total_energy) | 1~~~~~~~~ Warning: Unused dummy argument ‘max_cycle’ at (1) [-Wunused-dummy-argument] ../src/solv/cpx.F90:77:60: 77 | subroutine calculate_cpcmx(self,env,solvent,energy_gas,probe,T,max_cycle,conv_crit,total_energy) | 1~~~~ Warning: Unused dummy argument ‘probe’ at (1) [-Wunused-dummy-argument] ../src/solv/cpx.F90:77:41: 77 | subroutine calculate_cpcmx(self,env,solvent,energy_gas,probe,T,max_cycle,conv_crit,total_energy) | 1~~~~~~ Warning: Unused dummy argument ‘solvent’ at (1) [-Wunused-dummy-argument] ../src/solv/cpx.F90:77:66: 77 | subroutine calculate_cpcmx(self,env,solvent,energy_gas,probe,T,max_cycle,conv_crit,total_energy) | 1 Warning: Unused dummy argument ‘t’ at (1) [-Wunused-dummy-argument] ../src/solv/cpx.F90:77:88: 77 | subroutine calculate_cpcmx(self,env,solvent,energy_gas,probe,T,max_cycle,conv_crit,total_energy) | 1~~~~~~~~~~~ Warning: Dummy argument ‘total_energy’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/solv/cpx.F90:62:42: 62 | type(error_type), allocatable :: error | 1~~~~ Warning: Unused variable ‘error’ declared at (1) [-Wunused-variable] ../src/solv/cpx.F90:55:39: 55 | subroutine setup_cpcmx(self, env, solvent) | 1~~~~~~ Warning: Unused dummy argument ‘solvent’ at (1) [-Wunused-dummy-argument] [200/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_dftd3.f90.o -c ../src/disp/dftd3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/dftd3.f90:745:59: 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.f90:723:39: 723 | & (mol, neighs, neighlist, par, r4r2, c6, dc6dcn, & | 1~~~ Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:693:25: 693 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:30: 693 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:61: 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.f90:695:53: 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.f90:695:57: 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.f90:696:43: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~~ Warning: Unused variable ‘ddisp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:16: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~ Warning: Unused variable ‘de’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:20: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~~ Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:37: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~ Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:27: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~~~~~ Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:15: 693 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:35: 693 | integer :: iat, jat, ati, atj, ij, img | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:39: 693 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘img’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:20: 693 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:24: 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.f90:695:36: 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.f90:695:16: 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.f90:695:28: 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.f90:695:48: 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.f90:695:40: 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.f90:695:44: 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.f90:484:23: 484 | & (mol, neighs, neighs3, neighlist, par, weighting_factor, & | 1~~~~~~ Warning: Unused dummy argument ‘neighs3’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:393:35: 393 | & (mol, trans, cutoff, par, r4r2, c6, dc6dcn, & | 1~~~ Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:72:31: 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] [201/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_ncoord.f90.o -c ../src/disp/ncoord.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/ncoord.f90:1041:32: 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.f90:1041:37: 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.f90:969:32: 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.f90:969:37: 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.f90:770:41: 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.f90:700:50: 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.f90:700:41: 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.f90:587:45: 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.f90:481:32: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1~~ Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:481:37: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1~ Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:397:32: 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.f90:397:37: 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.f90:346:16: 346 | real(wp) :: expterm | 1~~~~~~ Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:292:32: 292 | real(wp) :: rij(3), r, rco, den, tmp, r2 | 1~~ Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] [202/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_data.f90.o -c ../src/type/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [203/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_tblite_mapping.F90.o -c ../src/tblite/mapping.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/tblite/mapping.F90:64:52: 64 | subroutine convert_tblite_to_results(results, mol, chk, energy, converged, gradient) | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/mapping.F90:64:47: 64 | subroutine convert_tblite_to_results(results, mol, chk, energy, converged, gradient) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/mapping.F90:153:1: 153 | subroutine feature_not_implemented(env) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘feature_not_implemented’ defined but not used [-Wunused-function] [204/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_identitymap.f90.o -c ../src/type/identitymap.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [205/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gdisp0.f90.o -c ../src/gfnff/gdisp0.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gdisp0.f90:1072:59: 1072 | integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik | 1~ Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1050:39: 1050 | & (mol, neighs, neighlist, par, r4r2, c6, dc6dcn, & | 1~~~ Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gdisp0.f90:1020:25: 1020 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1020:30: 1020 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:61: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~~ Warning: Unused variable ‘d10’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:53: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~ Warning: Unused variable ‘d6’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:57: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~ Warning: Unused variable ‘d8’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1023:43: 1023 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~~ Warning: Unused variable ‘ddisp’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1023:16: 1023 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~ Warning: Unused variable ‘de’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1023:20: 1023 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~~ Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1023:37: 1023 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~ Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1023:27: 1023 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1~~~~~~~ Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1020:15: 1020 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1020:35: 1020 | integer :: iat, jat, ati, atj, ij, img | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1020:39: 1020 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘img’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1020:20: 1020 | integer :: iat, jat, ati, atj, ij, img | 1~~ Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:24: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~ Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:36: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:16: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~~~~~ Warning: Unused variable ‘r4r2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:28: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~~~~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:48: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~~ Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:40: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~ Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:1022:44: 1022 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1~ Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:805:30: 805 | & (dispm, mol, neighs, neighs3, neighlist, par, weighting_factor, & | 1~~~~~~ Warning: Unused dummy argument ‘neighs3’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gdisp0.f90:714:22: 714 | & (mol, trans, fraglist, cutoff, par, r4r2, c6, dc6dcn, & | 1~~~~~~~ Warning: Unused dummy argument ‘fraglist’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gdisp0.f90:714:45: 714 | & (mol, trans, fraglist, cutoff, par, r4r2, c6, dc6dcn, & | 1~~~ Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gdisp0.f90:118:31: 118 | integer :: iat, ati, iref, icount | 1~~~~~ Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:58:31: 58 | integer :: iat, ati, iref, icount | 1~~~~~ Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:43:1: 43 | subroutine weight_references(nat, atoms, wf, cn, gwvec, gwdcn) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘weight_references’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:162:1: 162 | subroutine get_atomic_c6(nat, atoms, gwvec, gwdcn, c6, dc6dcn) | ^~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘get_atomic_c6’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:407:1: 407 | subroutine disp_gradient_latp & | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘disp_gradient_latp’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:804:1: 804 | subroutine d3_full_gradient_neigh & | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘d3_full_gradient_neigh’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:865:1: 865 | subroutine d3_gradient_neigh & | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘d3_gradient_neigh’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:1213:43: 1213 | real(wp) pure elemental function pair_scale(iat, jat) result(scale) | ^ Warning: ‘pair_scale’ defined but not used [-Wunused-function] [206/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_dftd3.f.o -c ../src/disp/dftd3.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../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:363:26: 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:363:30: 363 | . izi,izj,iat,jat,c6check,dc6i,dc6j) | 1~~ Warning: Unused dummy argument ‘jat’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f:59:20: 59 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1~~~~ Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:45: 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:46:57: 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:47:28: 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:47:16: 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:47:22: 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:59:16: 59 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1~~ Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:60:24: 60 | real(wp) expterm,dcni | 1~~~ Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:43: 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:48:37: 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:57:16: 57 | real(wp) drik,drjk | 1~~~ Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:57:21: 57 | real(wp) drik,drjk | 1~~~ Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:16: 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:46:19: 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:46:22: 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:47:41: 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:47:45: 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:47:35: 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:45:53: 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:47:38: 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:42:15: 42 | logical echo | 1~~~ Warning: Unused variable ‘echo’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:20: 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:49:16: 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:49:28: 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:49:20: 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:49:32: 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:49:24: 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:49:36: 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:85:37: 85 | integer mat,linim,linjm,linkm,kk | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:79:16: 79 | real(wp) labc,rabc | 1~~~ Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:19: 85 | integer mat,linim,linjm,linkm,kk | 1~~~~ Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:25: 85 | integer mat,linim,linjm,linkm,kk | 1~~~~ Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:31: 85 | integer mat,linim,linjm,linkm,kk | 1~~~~ Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:15: 85 | integer mat,linim,linjm,linkm,kk | 1~~ Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:39: 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:46:43: 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:48:49: 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:79:21: 79 | real(wp) labc,rabc | 1~~~ Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:54:23: 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:55:16: 55 | real(wp) rik_dist,rjk_dist | 1~~~~~~~ Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:54:30: 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:55:25: 55 | real(wp) rik_dist,rjk_dist | 1~~~~~~~ Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:50: 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:52:16: 52 | real(wp) rs6,rs8 | 1~~ Warning: Unused variable ‘rs6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:52:20: 52 | real(wp) rs6,rs8 | 1~~ Warning: Unused variable ‘rs8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:50:16: 50 | real(wp) rthr3,s6 | 1~~~~ Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:16: 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:48:32: 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:46:53: 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:48:27: 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:48:54: 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:66:16: 66 | real(wp) vec(3),vec2(3) | 1~~~~~ Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:66:23: 66 | real(wp) vec(3),vec2(3) | 1~~~~~~ Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:41: 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:45:35: 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:45:44: 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:45:38: 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:45:47: 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:469:20: 469 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1~~~~ Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:45: 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:458:57: 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:459:28: 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:459:16: 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:459:22: 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:491:58: 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:469:16: 469 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1~~ Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:48: 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:470:24: 470 | real(wp) expterm,dcni | 1~~~ Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:52: 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:457:30: 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:460:43: 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:460:37: 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:467:16: 467 | real(wp) drik,drjk | 1~~~ Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:467:21: 467 | real(wp) drik,drjk | 1~~~ Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:16: 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:458:19: 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:458:22: 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:459:41: 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:459:45: 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:459:35: 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:457:53: 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:459:38: 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:470:16: 470 | real(wp) expterm,dcni | 1~~~~~~ Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:20: 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:461:16: 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:461:28: 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:461:20: 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:461:32: 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:461:24: 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:461:36: 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:493:37: 493 | integer mat,linim,linjm,linkm,kk | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:487:16: 487 | real(wp) labc,rabc | 1~~~ Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:19: 493 | integer mat,linim,linjm,linkm,kk | 1~~~~ Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:25: 493 | integer mat,linim,linjm,linkm,kk | 1~~~~ Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:31: 493 | integer mat,linim,linjm,linkm,kk | 1~~~~ Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:15: 493 | integer mat,linim,linjm,linkm,kk | 1~~ Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:39: 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:458:43: 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:460:49: 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:458:30: 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:457:26: 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:458:33: 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:464:37: 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:458:36: 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:464:40: 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:487:21: 487 | real(wp) labc,rabc | 1~~~ Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:468:16: 468 | real(wp) rcovij | 1~~~~~ Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:23: 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:465:16: 465 | real(wp) rik_dist,rjk_dist | 1~~~~~~~ Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:30: 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:465:25: 465 | real(wp) rik_dist,rjk_dist | 1~~~~~~~ Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:50: 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:462:16: 462 | real(wp) rthr3,s6 | 1~~~~ Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:16: 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:460:32: 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:458:53: 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:458:47: 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:458:50: 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:460:27: 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:459:49: 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:460:54: 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:476:16: 476 | real(wp) vec(3),vec2(3) | 1~~~~~ Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:476:23: 476 | real(wp) vec(3),vec2(3) | 1~~~~~~ Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:480:30: 480 | real(wp) dc6iji,dc6ijj,x1 | 1~ Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:41: 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:457:35: 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:457:44: 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:457:38: 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:457:47: 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:598:37: 598 | real(wp) cn1,cn2,r,rsum,csum,tmp,tmp1 | 1~~ Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [207/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lbfgs_anc_filter_type.f90.o -c ../src/lbfgs_anc/filter_type.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [208/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_latticepoint.f90.o -c ../src/type/latticepoint.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [209/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_calculator.f90.o -c ../src/type/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/calculator.f90: In function ‘__xtb_type_calculator_MOD_hessian._omp_fn.0’: ../src/type/calculator.f90:179:66: warning: ‘alphar[0]’ may be used uninitialized [-Wmaybe-uninitialized] 179 | polgrad(1, ii) = (alphar(1, 1) - alphal(1, 1)) * step2 | ^ ../src/type/calculator.f90:141:30: note: ‘alphar[0]’ was declared here 141 | real(wp) :: alphal(3, 3), alphar(3, 3) | ^~~~~~~~~~~~ ../src/type/calculator.f90:180:66: warning: ‘alphar[3]’ may be used uninitialized [-Wmaybe-uninitialized] 180 | polgrad(2, ii) = (alphar(1, 2) - alphal(1, 2)) * step2 | ^ ../src/type/calculator.f90:141:30: note: ‘alphar[3]’ was declared here 141 | real(wp) :: alphal(3, 3), alphar(3, 3) | ^~~~~~~~~~~~ ../src/type/calculator.f90:181:66: warning: ‘alphar[4]’ may be used uninitialized [-Wmaybe-uninitialized] 181 | polgrad(3, ii) = (alphar(2, 2) - alphal(2, 2)) * step2 | ^ ../src/type/calculator.f90:141:30: note: ‘alphar[4]’ was declared here 141 | real(wp) :: alphal(3, 3), alphar(3, 3) | ^~~~~~~~~~~~ ../src/type/calculator.f90:182:66: warning: ‘alphar[6]’ may be used uninitialized [-Wmaybe-uninitialized] 182 | polgrad(4, ii) = (alphar(1, 3) - alphal(1, 3)) * step2 | ^ ../src/type/calculator.f90:141:30: note: ‘alphar[6]’ was declared here 141 | real(wp) :: alphal(3, 3), alphar(3, 3) | ^~~~~~~~~~~~ ../src/type/calculator.f90:183:66: warning: ‘alphar[7]’ may be used uninitialized [-Wmaybe-uninitialized] 183 | polgrad(5, ii) = (alphar(2, 3) - alphal(2, 3)) * step2 | ^ ../src/type/calculator.f90:141:30: note: ‘alphar[7]’ was declared here 141 | real(wp) :: alphal(3, 3), alphar(3, 3) | ^~~~~~~~~~~~ ../src/type/calculator.f90:184:66: warning: ‘alphar[8]’ may be used uninitialized [-Wmaybe-uninitialized] 184 | polgrad(6, ii) = (alphar(3, 3) - alphal(3, 3)) * step2 | ^ ../src/type/calculator.f90:141:30: note: ‘alphar[8]’ was declared here 141 | real(wp) :: alphal(3, 3), alphar(3, 3) | ^~~~~~~~~~~~ [210/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lbfgs_anc_filter_cart.f90.o -c ../src/lbfgs_anc/filter_cart.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [211/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_repulsion.F90.o -c ../src/xtb/repulsion.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/xtb/repulsion.F90:186:35: 186 | real(wp) :: alpha, zeff, kExp, cutoff2 | 1~~~~~~ Warning: Unused variable ‘cutoff2’ declared at (1) [-Wunused-variable] [212/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lbfgs_anc_filter.f90.o -c ../src/lbfgs_anc/filter.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [213/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lbfgs_anc_lbfgs.f90.o -c ../src/lbfgs_anc/lbfgs.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lbfgs_anc/lbfgs.f90:161:23: 161 | subroutine step(self, val, gcurr, glast, displ, tot_step) | 1~~ Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument] ../src/lbfgs_anc/lbfgs.f90:117:25: 117 | integer :: thisiter, lastiter, mem | 1~~~~~~~ Warning: Unused variable ‘lastiter’ declared at (1) [-Wunused-variable] ../src/lbfgs_anc/lbfgs.f90:67:38: 67 | subroutine new_lbfgs_optimizer(self, env, input, filter) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] [214/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lbfgs_anc_optimizer.f90.o -c ../src/lbfgs_anc/optimizer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [215/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_coffee.f90.o -c ../src/coffee.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [216/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_coordinationnumber.f90.o -c ../src/disp/coordinationnumber.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [217/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_detrotra.f90.o -c ../src/detrotra.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [218/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_neighbor.f90.o -c ../src/gfnff/neighbor.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/neighbor.f90:596:31: 596 | integer :: i,j,s,k,kk, lin | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/neighbor.f90:595:19: 595 | integer :: trVecInt2(3,iTrDim) | 1~~~~~~~~~~~~~~~~~~ Warning: Unused variable ‘trvecint2’ declared at (1) [-Wunused-variable] ../src/gfnff/neighbor.f90:547:41: 547 | integer :: k, l, iTrdum, sizenb, sizeindx, jdum | 1~~~~~~~ Warning: Unused variable ‘sizeindx’ declared at (1) [-Wunused-variable] ../src/gfnff/neighbor.f90:515:20: 515 | integer :: j,k,iTr,counter,counter2 | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/neighbor.f90:387:18: 387 | integer :: indx | 1~~~ Warning: Unused variable ‘indx’ declared at (1) [-Wunused-variable] ../src/gfnff/neighbor.f90:107:34: 107 | subroutine get_nb(self, mol, rab, rtmp, mchar, icase, f_in, f2_in, param) | 1~~ Warning: Unused dummy argument ‘rab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/neighbor.f90:583:4: 583 | function vecNorm(vector) result(vectorNorm) | ^ Warning: ‘vecnorm’ defined but not used [-Wunused-function] ../src/gfnff/neighbor.f90: In function ‘__xtb_gfnff_neighbor_MOD_gettransvec’: ../src/gfnff/neighbor.f90:306:17: warning: ‘sh’ may be used uninitialized [-Wmaybe-uninitialized] 306 | if(NORM2(vec)*(1-1/sh).gt.cutoff) then | ^ ../src/gfnff/neighbor.f90:154:19: note: ‘sh’ was declared here 154 | real(wp) :: sh | ^~ [219/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_cube.f90.o -c ../src/cube.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/cube.f90:223:40: 223 | 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.f90:38:38: 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.f90:62:15: 62 | real*8 thr,thr3,intcut,intcut2,boff | 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.f90:63:28: 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.f90:64:49: 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] [220/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_anc.f90.o -c ../src/type/anc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/anc.f90:500:89: 20 | use xtb_mctc_blas | 2 ...... 500 | call dgemv('t',self%n3,self%nvar,1.0_wp,self%B,self%n3,array_form,1,0.0_wp,g_normal,1) | 1 Warning: Mismatch in PURE attribute between (1) and (2) ../src/type/anc.f90:461:15: 461 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:302:1: 302 | subroutine generate_anc_packed(self,xyz,hess,pr) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘generate_anc_packed’ defined but not used [-Wunused-function] [221/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_enso_printout.f90.o -c ../src/enso_printout.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [222/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_type_coulomb.f90.o -c ../src/type/coulomb.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/coulomb.f90:177:15: 177 | logical :: exitRun | 1~~~~~~ Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [223/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gfnff_param.f90.o -c ../src/gfnff/gfnff_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_param.f90:356:31: 356 | subroutine gfnff_set_param(n, gen, param) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] [224/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_generate_wsc.f90.o -c ../src/generate_wsc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/generate_wsc.f90:32:22: 32 | integer :: ii,jj,ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [225/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_dftd4.F90.o -c ../src/disp/dftd4.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/disp/dftd4.F90:2124:49: 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.F90:2124:16: 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.F90:2124:25: 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.F90:2124:78: 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.F90:2124:54: 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.F90:2124:20: 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.F90:2124:66: 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.F90:2124:73: 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.F90:2124:60: 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.F90:2124:31: 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.F90:2124:37: 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.F90:2124:43: 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.F90:1971:66: 1971 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1~~~~~~ Warning: Unused variable ‘dedq’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1971:42: 1971 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1~~~~~~~~~~~ Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1785:42: 1785 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1~~~~~~~~~~~ Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1545:59: 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.F90:871:25: 871 | real(wp) :: twf,norm,aiw(23) | 1~~~~~~ Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:859:40: 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.F90:859:44: 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.F90:869:24: 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.F90:869:21: 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.F90:826:16: 826 | real(wp) :: qmod,iz | 1~~~ Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:740:16: 740 | real(wp) :: qmod,iz | 1~~~ Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:652:37: 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.F90:595:25: 595 | real(wp) :: twf,norm,aiw(23) | 1~~~~~~ Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:582:36: 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.F90:582:40: 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.F90:593:24: 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.F90:593:21: 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.F90:385:27: 385 | real(wp) :: tmp1, tmp2 | 1~~~ Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:385:33: 385 | real(wp) :: tmp1, tmp2 | 1~~~ Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:278:16: 278 | & gw,c6abns,molc6,molc8,molpol,aout,cout,rout,vout) | 1~~~~~ Warning: Unused dummy argument ‘c6abns’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:296:26: 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.F90:298:16: 298 | real(wp) :: qmod,oth,iz | 1~~~ Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:277:38: 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.F90:62:16: 62 | integer :: cncount(0:18) | 1~~~~~~~~~~~~ Warning: Unused variable ‘cncount’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:24: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1~~ Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:39: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:30: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1~ Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] [226/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_dispersion.f90.o -c ../src/xtb/dispersion.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/dispersion.f90:80:28: 80 | integer, allocatable :: itbl(:) | 1~~~~~~ Warning: Unused variable ‘itbl’ declared at (1) [-Wunused-variable] [227/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_coulomb_gaussian.f90.o -c ../src/coulomb/gaussian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/gaussian.f90:145:15: 145 | logical :: exitRun | 1~~~~~~ Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [228/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_coulomb_klopmanohno.f90.o -c ../src/coulomb/klopmanohno.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/klopmanohno.f90:198:15: 198 | logical :: exitRun | 1~~~~~~ Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [229/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_getname.f90.o -c ../src/getname.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [230/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_eeq.f90.o -c ../src/xtb/eeq.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [231/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_header.f90.o -c ../src/header.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [232/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_disp_encharges.f90.o -c ../src/disp/encharges.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [233/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_eeq_model.f90.o -c ../src/eeq_model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/eeq_model.f90:1078:16: 1078 | real(wp) :: arg,tmp,dtmp | 1~~ Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1087:16: 1087 | real(wp) :: cf ! convergence factor | 1~ Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1068:28: 1068 | real(wp),allocatable :: dAmatdL(:,:,:) | 1~~~~~~~~~~~~~ Warning: Unused variable ‘damatdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:29: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1~~~~~~~ Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1078:24: 1078 | real(wp) :: arg,tmp,dtmp | 1~~~ Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1070:28: 1070 | real(wp),allocatable :: dXvecdL(:,:,:) | 1~~~~~~~~~~~~~ Warning: Unused variable ‘dxvecdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1111:32: 1111 | real(wp) :: gborn, ghb, r3, erft | 1~~~ Warning: Unused variable ‘erft’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:16: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1~~~~ Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1077:16: 1077 | real(wp) :: gamij,gamij2 | 1~~~~ Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1077:22: 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.f90:1076:25: 1076 | real(wp) :: r,rij(3),r2 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1111:28: 1111 | real(wp) :: gborn, ghb, r3, erft | 1~ Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1089:28: 1089 | integer :: rep_cn(3) | 1~~~~~~~~ Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1076:18: 1076 | real(wp) :: r,rij(3),r2 | 1~~~~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:22: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1~~~~~ Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:38: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1~~~~~~~~ Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1085:16: 1085 | integer :: wscAt | 1~~~~ Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:735:16: 735 | real(wp) :: arg,tmp,dtmp | 1~~ Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:29: 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.f90:735:24: 735 | real(wp) :: arg,tmp,dtmp | 1~~~ Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:16: 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.f90:734:16: 734 | real(wp) :: gamij,gamij2 | 1~~~~ Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:734:22: 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.f90:733:25: 733 | real(wp) :: r,rij(3),r2 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:733:18: 733 | real(wp) :: r,rij(3),r2 | 1~~~~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:22: 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.f90:743:38: 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.f90:742:16: 742 | integer :: wscAt | 1~~~~ Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:383:22: 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.f90:275:16: 275 | integer :: dx,dy,dz,i,itr | 1~ Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:19: 275 | integer :: dx,dy,dz,i,itr | 1~ Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:22: 275 | integer :: dx,dy,dz,i,itr | 1~ Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:277:16: 277 | real(wp) :: t(3),dtmp,stmp(3) | 1~~~ Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:16: 245 | integer :: dx,dy,dz,itr | 1~ Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:19: 245 | integer :: dx,dy,dz,itr | 1~ Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:22: 245 | integer :: dx,dy,dz,itr | 1~ Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:247:16: 247 | real(wp) :: t(3) | 1~~~ Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:184:16: 184 | real(wp) :: gVec(3) | 1~~~~~~ Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:15: 183 | integer :: iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:20: 183 | integer :: iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:25: 183 | integer :: iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:30: 183 | integer :: iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:96:38: 96 | real(wp) :: gamii, gamij, riw(3), gVec(3) | 1~~~~~~ Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:32: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:37: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:42: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:47: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1~~ Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] [234/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_gfn2.f90.o -c ../src/xtb/gfn2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn2.f90:878:15: 878 | logical :: valShell(0:3) | 1~~~~~~~~~~~~ Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:818:15: 818 | integer :: iZp, iSh, jSh | 1~~ Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:30: 817 | integer :: mShell, nPrim, lAng | 1~~~ Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:23: 817 | integer :: mShell, nPrim, lAng | 1~~~~ Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:819:15: 819 | logical :: valShell(0:3) | 1~~~~~~~~~~~~ Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] [235/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_iniq.f90.o -c ../src/iniq.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [236/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lopt.f90.o -c ../src/lopt.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lopt.f90:235:9: 235 | 200 continue | 1 Warning: Label 200 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:225:12: 225 | 110 ij=ij+1 | 1 Warning: Label 110 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:215:20: 215 | 90 jl=jl+l | 1 Warning: Label 90 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:202:20: 202 | 70 jl=jl+l | 1 Warning: Label 70 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:161:17: 161 | 40 continue | 1 Warning: Label 40 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:139:17: 139 | 30 b=b+aqu*aux1**2-aux2**2 | 1 Warning: Label 30 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:102:8: 102 | 22 continue | 1 Warning: Label 22 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:100:11: 100 | 21 opn=opn+op(i,k)**2 | 1 Warning: Label 21 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:85:11: 85 | 20 d(i,i)=a1 | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:83:14: 83 | 10 d(j,i)=a0-accr*i+accr*i*j | 1 Warning: Label 10 at (1) defined but not used [-Wunused-label] ../src/lopt.f90:39:15: 39 | integer :: auxi | 1~~~ Warning: Unused variable ‘auxi’ declared at (1) [-Wunused-variable] [237/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lidep.f90.o -c ../src/lidep.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lidep.f90:520:47: 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.f90:520:24: 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.f90:536:37: 536 | integer, allocatable :: iwork(:),ifail(:) | 1~~~~~~~ Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:520:41: 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.f90:534:44: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1~ Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:536:28: 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.f90:534:30: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1~~~~~ Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:37: 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.f90:473:46: 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.f90:473:23: 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.f90:491:28: 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.f90:489:37: 489 | integer, allocatable :: iwork(:),ifail(:) | 1~~~~~~~ Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:473:40: 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.f90:487:44: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1~ Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:489:28: 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.f90:487:30: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1~~~~~ Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:37: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1~~~~~ Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/lidep.f90:491:38: 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.f90:423:29: 423 | subroutine buildtrafoX(ndim,ssq,U,sisq,newdim,X) | 1~~ Warning: Unused dummy argument ‘ssq’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:364:21: 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.f90:177:29: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1~~~~~ Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable] ../src/lidep.f90:177:36: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1~~~~~~ Warning: Unused variable ‘p2’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:16: 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] [238/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_printout.f90.o -c ../src/printout.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/printout.f90:74:16: 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.f90:59:49: 59 | subroutine setup_summary(iunit,n,fname,xcontrol,wfx,xrc) | 1~~ Warning: Unused dummy argument ‘wfx’ at (1) [-Wunused-dummy-argument] ../src/printout.f90:38:39: 38 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [239/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_gfn0.f90.o -c ../src/xtb/gfn0.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn0.f90:792:20: 792 | integer :: iZp, iSh | 1~~ Warning: Unused variable ‘ish’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:792:15: 792 | integer :: iZp, iSh | 1~~ Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:30: 791 | integer :: mShell, nPrim, lAng | 1~~~ Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:23: 791 | integer :: mShell, nPrim, lAng | 1~~~~ Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:793:15: 793 | logical :: valShell(0:3) | 1~~~~~~~~~~~~ Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:767:30: 767 | subroutine initCoulomb(self, nShell) | 1~~~~~ Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] [240/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_qpot.f90.o -c ../src/qpot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qpot.f90:202:47: 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.f90:200:12: 200 | logical da | 1~ Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:24: 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.f90:201:25: 201 | integer iat,i,j,k,nn,ni | 1~ Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:22: 201 | integer iat,i,j,k,nn,ni | 1~ Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:44: 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.f90:202:32: 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.f90:202:29: 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.f90:28:24: 28 | character(80) fname,a80 | 1~~ Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable] ../src/qpot.f90:26:24: 26 | integer i,j,k,nread,at(natoms) | 1~~~~~~~~~ Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/qpot.f90:29:12: 29 | logical ex | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/qpot.f90:28:18: 28 | character(80) fname,a80 | 1~~~~ Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/qpot.f90:18:27: 18 | subroutine qpotini(natoms,iat,xyz) | 1~~ Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] ../src/qpot.f90:26:18: 26 | integer i,j,k,nread,at(natoms) | 1~~~~ Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/qpot.f90:27:13: 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.f90:88:28: 88 | subroutine rdfix(nat,n,xyz,iat,fname,fixed) | 1~~ Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] [241/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfn_paramset.f90.o -c ../src/gfn_paramset.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:47:36: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1~~~~~~ Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:47:31: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1~~~ Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:47:44: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1~~~~~~ Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:36: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1~~~~~~ Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:31: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1~~~ Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:44: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1~~~~~~ Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:36: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1~~~~~~ Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:31: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1~~~ Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:44: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1~~~~~~ Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] [242/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_readin.f90.o -c ../src/readin.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/readin.f90:337:30: 337 | subroutine readlog(fname,nat,at,xyz,nstruc) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/readin.f90:348:26: 348 | real(wp) :: floats(3),f | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/readin.f90:350:18: 350 | integer :: j,k,cs,cf,ncheck | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/readin.f90:350:26: 350 | integer :: j,k,cs,cf,ncheck | 1~~~~~ Warning: Unused variable ‘ncheck’ declared at (1) [-Wunused-variable] ../src/readin.f90:292:21: 292 | integer :: i,j,k,l,err | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] [243/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_reader_orca.f90.o -c ../src/io/reader/orca.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/orca.f90:50:36: 50 | integer :: error, ndim, ii, jj, jbatch, iline | 1~~~~~ Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable] ../src/io/reader/orca.f90:38:45: 38 | subroutine readHessianOrca(hessian, reader, mol, status, iomsg) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] [244/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_esp.f.o -c ../src/esp.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../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:258:44: 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:257:44: 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:257:47: 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:257:39: 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:257:50: 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:257:53: 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:196:43: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1~~ Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/esp.f:196:35: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1~~ Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/esp.f:196:39: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1~~ Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable] ../src/esp.f:180:36: 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:195:44: 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:195:47: 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:195:39: 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:195:50: 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:195:53: 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:196:31: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1~~ Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/esp.f:197:23: 197 | real*8 tt1,ttt,thr,cce,pthr2 | 1~~ Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] [245/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_twostepscf.F90.o -c ../src/ptb/twostepscf.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [246/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_response.F90.o -c ../src/ptb/response.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [247/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_reader_turbomole.f90.o -c ../src/io/reader/turbomole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [248/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_restart.f90.o -c ../src/restart.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/restart.f90:203:30: 203 | subroutine write_restart_gff(env,fname,nat,version,topo,neigh) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:182:25: 182 | subroutine writeRestart(env,wfx,fname,gfn_method) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:107:15: 107 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/restart.f90:33:40: 33 | subroutine readRestart(env,wfx,fname,n,at,gfn_method,success,verbose) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:47:15: 47 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [249/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_io_reader.f90.o -c ../src/io/reader.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [250/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gfnff_ini2.f90.o -c ../src/gfnff/gfnff_ini2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_ini2.f90:2173:22: 2173 | integer i,j,no,nc,iTr | 1~ Warning: Unused variable ‘nc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:2113:20: 2113 | integer :: k, l, m | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1938:49: 1938 | subroutine nbondmat_pbc(n,numnb,numctr,nb,iTrNeg,neigh,pair) | 1~~~~~ Warning: Unused dummy argument ‘itrneg’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1947:36: 1947 | integer :: i,inew,j,inb,ixnb,xnb,iTr,iTrnew,sumiTr,k,iTr2,l | 1~~ Warning: Unused variable ‘xnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1837:55: 1837 | 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.f90:1689:25: 1689 | real(wp) :: tsqrt2pi,bohr | 1~~~ Warning: Unused variable ‘bohr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1682:29: 1682 | integer :: m,i,j,k,l,ii,jj,kk,n | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1682:22: 1682 | integer :: m,i,j,k,l,ii,jj,kk,n | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1682:32: 1682 | integer :: m,i,j,k,l,ii,jj,kk,n | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1682:24: 1682 | integer :: m,i,j,k,l,ii,jj,kk,n | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1683:19: 1683 | integer :: ij,lj | 1~ Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1687:19: 1687 | real(wp) :: r2,r0 | 1~ Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1686:23: 1686 | real(wp) :: gammij,sief1,sief2 | 1~~~~ Warning: Unused variable ‘sief1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1686:29: 1686 | real(wp) :: gammij,sief1,sief2 | 1~~~~ Warning: Unused variable ‘sief2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1570:29: 1570 | subroutine goedeckera(env,n,at,pair,q,es,topo) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1592:25: 1592 | real(wp) :: tsqrt2pi,bohr | 1~~~ Warning: Unused variable ‘bohr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1585:29: 1585 | integer :: m,i,j,k,l,ii,jj,kk | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1585:22: 1585 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1585:32: 1585 | integer :: m,i,j,k,l,ii,jj,kk | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1585:24: 1585 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1586:19: 1586 | integer :: ij,lj | 1~ Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1590:19: 1590 | real(wp) :: r2,r0 | 1~ Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1589:23: 1589 | real(wp) :: gammij,sief1,sief2 | 1~~~~ Warning: Unused variable ‘sief1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1589:29: 1589 | real(wp) :: gammij,sief1,sief2 | 1~~~~ Warning: Unused variable ‘sief2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1542:24: 1542 | integer n,ii,k,j,m,i,sc1 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1391:45: 1391 | 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.f90:1391:36: 1391 | 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.f90:1391:39: 1391 | 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.f90:1391:42: 1391 | 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.f90:1384:24: 1384 | subroutine getring36(n,at,numnb,numctr,nbin,a0_in,cout,irout) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1396:20: 1396 | real*8 w(n),av,sd | 1~ Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1389:45: 1389 | 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.f90:1389:36: 1389 | 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.f90:1389:39: 1389 | 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.f90:1389:42: 1389 | 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.f90:1395:64: 1395 | 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.f90:1390:45: 1390 | 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.f90:1390:36: 1390 | 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.f90:1390:39: 1390 | 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.f90:1390:42: 1390 | 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.f90:1384:33: 1384 | subroutine getring36(n,at,numnb,numctr,nbin,a0_in,cout,irout) | 1~~~~~ Warning: Unused dummy argument ‘numctr’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1396:23: 1396 | real*8 w(n),av,sd | 1~ Warning: Unused variable ‘sd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1372:15: 1372 | integer ati,atj | 1~~ Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1372:19: 1372 | integer ati,atj | 1~~ Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1366:35: 1366 | subroutine hbonds(i,j,ci,cj,param,topo) | 1~~~~ Warning: Unused dummy argument ‘param’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1259:27: 1259 | subroutine gfnff_hbset0(n,at,xyz,topo,nhb1,nhb2,nxb,neigh,nlist,hbthr1,hbthr2) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1274:24: 1274 | 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.f90:1274:34: 1274 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1274:37: 1274 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1~~ Warning: Unused variable ‘inh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1274:41: 1274 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1~~ Warning: Unused variable ‘jnh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1274:30: 1274 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1259:59: 1259 | subroutine gfnff_hbset0(n,at,xyz,topo,nhb1,nhb2,nxb,neigh,nlist,hbthr1,hbthr2) | 1~~~~ Warning: Unused dummy argument ‘nlist’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1213:38: 1213 | integer :: ii,jj,iTr,iTrA,iTrH,iTrB | 1~~~ Warning: Unused variable ‘itrb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1212:22: 1212 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1133:28: 1133 | logical :: iTr_same, AH_diff, ldum(4) | 1~~~~~~ Warning: Unused variable ‘ah_diff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1124:38: 1124 | integer :: ii,jj,iTr,iTrA,iTrH,iTrB | 1~~~ Warning: Unused variable ‘itrb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1133:37: 1133 | logical :: iTr_same, AH_diff, ldum(4) | 1~~~~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1126:18: 1126 | integer :: lin | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1130:28: 1130 | integer :: tot_count,t | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1035:28: 1035 | logical :: iTr_same, AH_diff, ldum(4) | 1~~~~~~ Warning: Unused variable ‘ah_diff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1035:37: 1035 | logical :: iTr_same, AH_diff, ldum(4) | 1~~~~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1027:18: 1027 | integer :: lin | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:947:26: 947 | subroutine bond_hbset0(n,at,xyz,npbc,bond_hbn,topo,neigh,hbthr1,hbthr2) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:947:65: 947 | subroutine bond_hbset0(n,at,xyz,npbc,bond_hbn,topo,neigh,hbthr1,hbthr2) | 1~~~~~ Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:960:37: 960 | integer i,j,k,nh,ix,iTri,iTrj,iTrH,iTrDum | 1~~~ Warning: Unused variable ‘itrh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:947:33: 947 | subroutine bond_hbset0(n,at,xyz,npbc,bond_hbn,topo,neigh,hbthr1,hbthr2) | 1~~~ Warning: Unused dummy argument ‘npbc’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:965:19: 965 | real(wp) :: vec1, vec2 | 1~~~ Warning: Unused variable ‘vec1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:965:25: 965 | real(wp) :: vec1, vec2 | 1~~~ Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:875:25: 875 | subroutine bond_hbset(n,at,xyz,npbc,bond_hbn,bond_hbl,topo,neigh,hbthr1,hbthr2) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:891:16: 891 | real(wp) dum, rab | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:875:73: 875 | subroutine bond_hbset(n,at,xyz,npbc,bond_hbn,bond_hbl,topo,neigh,hbthr1,hbthr2) | 1~~~~~ Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:889:24: 889 | integer i,j,k,nh,ia,ix,iTri,iTrj,iTrH,iTrDum | 1~ Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:889:40: 889 | integer i,j,k,nh,ia,ix,iTri,iTrj,iTrH,iTrDum | 1~~~ Warning: Unused variable ‘itrh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:875:32: 875 | subroutine bond_hbset(n,at,xyz,npbc,bond_hbn,bond_hbl,topo,neigh,hbthr1,hbthr2) | 1~~~ Warning: Unused dummy argument ‘npbc’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:763:26: 763 | subroutine gfnff_hbset(n,at,xyz,topo,neigh,nlist,hbthr1,hbthr2) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:775:24: 775 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh, iTri,iTrj,iTrDum | 1~ Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:775:34: 775 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh, iTri,iTrj,iTrDum | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:775:37: 775 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh, iTri,iTrj,iTrDum | 1~~ Warning: Unused variable ‘inh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:775:41: 775 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh, iTri,iTrj,iTrDum | 1~~ Warning: Unused variable ‘jnh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:775:30: 775 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh, iTri,iTrj,iTrDum | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:511:32: 511 | subroutine ringsatom(n,i,c,s,rings) | 1 Warning: Unused dummy argument ‘c’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:513:21: 513 | 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.f90:513:48: 513 | 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.f90:482:25: 482 | integer jmin,j,jj,lin, numnb, iTr | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:472:51: 472 | subroutine nn_nearest_noM(ii,n,at,xyz,neigh,r,nn,param) | 1 Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:61:19: 61 | 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.f90:56:24: 56 | logical etacoord,da,strange_iat,metal_iat | 1~ Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:61:22: 61 | 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.f90:59:61: 59 | 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.f90:59:15: 59 | 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.f90:60:71: 60 | integer ai,aj,nn,im,ncm,l,no, iTr, iTr2, numnbf, numnbm, numnb, idx, idxdum, idxdum2, numctr | 1~~ Warning: Unused variable ‘idx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:59:28: 59 | 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.f90:56:39: 56 | logical etacoord,da,strange_iat,metal_iat | 1~~~~~~~~ Warning: Unused variable ‘metal_iat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:59:25: 59 | 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.f90:59:77: 59 | 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.f90:61:14: 61 | 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.f90:56:27: 56 | logical etacoord,da,strange_iat,metal_iat | 1~~~~~~~~~~ Warning: Unused variable ‘strange_iat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:2075:7: 2075 | subroutine pairsbond_pbc(n,nn,list,pair,tag) | ^~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘pairsbond_pbc’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_ini2.f90: In function ‘__xtb_gfnff_ini2_MOD_gfnff_neigh’: ../src/gfnff/gfnff_ini2.f90:184:21: warning: ‘im’ may be used uninitialized [-Wmaybe-uninitialized] 184 | if(neigh%nbf(k,i,iTr).ne.im)then ! all neighbors that are not the metal im | ^ ../src/gfnff/gfnff_ini2.f90:60:24: note: ‘im’ was declared here 60 | integer ai,aj,nn,im,ncm,l,no, iTr, iTr2, numnbf, numnbm, numnb, idx, idxdum, idxdum2, numctr | ^~ [251/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_filetools.F90.o -c ../src/filetools.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] [252/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_embedding.f90.o -c ../src/embedding.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:66:28: 66 | subroutine read_pcem(iunit,env,pcem,jData) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] [253/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_ptb_calculator.F90.o -c ../src/ptb/calculator.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/ptb/calculator.F90:185:43: 185 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/ptb/calculator.F90:186:12: 186 | & energy, gradient, sigma, hlgap, results) | 1~~~~~ Warning: Dummy argument ‘energy’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/ptb/calculator.F90:186:20: 186 | & energy, gradient, sigma, hlgap, results) | 1~~~~~~~ Warning: Dummy argument ‘gradient’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/ptb/calculator.F90:186:37: 186 | & energy, gradient, sigma, hlgap, results) | 1~~~~ Warning: Dummy argument ‘hlgap’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/ptb/calculator.F90:185:38: 185 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/ptb/calculator.F90:185:48: 185 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~~~~ Warning: Unused dummy argument ‘printlevel’ at (1) [-Wunused-dummy-argument] ../src/ptb/calculator.F90:185:60: 185 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/ptb/calculator.F90:186:30: 186 | & energy, gradient, sigma, hlgap, results) | 1~~~~ Warning: Dummy argument ‘sigma’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/ptb/calculator.F90:110:50: 110 | subroutine newPTBCalculator(env, struc, calc, accuracy) | 1~~~~~~~ Warning: Unused dummy argument ‘accuracy’ at (1) [-Wunused-dummy-argument] ../src/ptb/calculator.F90:124:18: 124 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/ptb/calculator.F90:125:18: 125 | logical :: exitRun | 1~~~~~~ Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../src/ptb/calculator.F90:122:40: 122 | character(len=:), allocatable :: filename | 1~~~~~~~ Warning: Unused variable ‘filename’ declared at (1) [-Wunused-variable] ../src/ptb/calculator.F90:123:18: 123 | integer :: ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/ptb/calculator.F90:110:37: 110 | subroutine newPTBCalculator(env, struc, calc, accuracy) | 1~~~~ Warning: Unused dummy argument ‘struc’ at (1) [-Wunused-dummy-argument] [254/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_metadynamic.f90.o -c ../src/metadynamic.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/metadynamic.f90:195:40: 195 | subroutine set_metadynamic(metavar,nat,at,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:113:38: 113 | subroutine load_rmsdbias(metavar,nat,at,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:113:41: 113 | subroutine load_rmsdbias(metavar,nat,at,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:91:44: 91 | subroutine load_metadynamic(metavar,nat,at,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:21:36: 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.f90:126:37: note: ‘unit’ declared here 126 | integer :: ii, nn, mm, cc, stat, unit | ^~~~ [255/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_main_json.F90.o -c ../src/main/json.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/main/json.F90:591:25: 591 | (ijson, mol, wfx, calc, sccres, freqres) | 1~~~ Warning: Unused dummy argument ‘calc’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:591:39: 591 | (ijson, mol, wfx, calc, sccres, freqres) | 1~~~~~~ Warning: Unused dummy argument ‘freqres’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:591:8: 591 | (ijson, mol, wfx, calc, sccres, freqres) | 1~~~~ Warning: Unused dummy argument ‘ijson’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:591:15: 591 | (ijson, mol, wfx, calc, sccres, freqres) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:591:31: 591 | (ijson, mol, wfx, calc, sccres, freqres) | 1~~~~~ Warning: Unused dummy argument ‘sccres’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:591:20: 591 | (ijson, mol, wfx, calc, sccres, freqres) | 1~~ Warning: Unused dummy argument ‘wfx’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:72:15: 72 | (ijson, mol, wfx, xbas, sccres, freqres) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:72:25: 72 | (ijson, mol, wfx, xbas, sccres, freqres) | 1~~~ Warning: Unused dummy argument ‘xbas’ at (1) [-Wunused-dummy-argument] ../src/main/json.F90:140:4: 140 | subroutine write_json_ptb_footer(ijson) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘write_json_ptb_footer’ defined but not used [-Wunused-function] ../src/main/json.F90:187:4: 187 | subroutine write_json_bondorder(ijson, mol, wfn) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘write_json_bondorder’ defined but not used [-Wunused-function] ../src/main/json.F90:258:4: 258 | subroutine write_json_ptb_wavefunction(ijson, wfn) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘write_json_ptb_wavefunction’ defined but not used [-Wunused-function] [256/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_read_gfn_param.f90.o -c ../src/read_gfn_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/read_gfn_param.f90:30:35: 30 | (env, iunit,globpar,xtbData,initialize) | 1~~~~~~~~~ Warning: Unused dummy argument ‘initialize’ at (1) [-Wunused-dummy-argument] [257/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_single.f90.o -c ../src/single.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/single.f90:43:48: 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.f90:43:15: 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.f90:43:42: 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.f90:43:18: 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.f90:48:21: 48 | type(tb_pcem) :: pcem | 1~~~ Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable] [258/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_shake_module.f90.o -c ../src/shake_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:163:13: 163 | real(wp) vel(3) | 1~~~~~ Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:161:13: 161 | real(wp) virsh(3),tstep | 1~~~~~~~ Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:50:15: 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.f90:53:27: note: ‘jmin’ was declared here 53 | integer :: iat,jat,i,j,jmin | ^~~~ [259/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_spline2.f90.o -c ../src/spline2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [260/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_spline3.f90.o -c ../src/spline3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/spline3.f90:151:24: 151 | integer ( kind = 4 ) info | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] [261/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_surfac.f.o -c ../src/surfac.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/surfac.f:30:44: 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] [262/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_splitparam.f90.o -c ../src/splitparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/splitparam.f90:94:24: 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] [263/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_thermo.f90.o -c ../src/thermo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/thermo.f90:254:69: 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.f90:304:39: 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.f90:80:33: 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.f90:116:39: 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.f90:120:23: 120 | real(wp) :: wofrot,RT | 1~ Warning: Unused variable ‘rt’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:34: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1~~~ Warning: Unused variable ‘xmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:28: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1~~~~ Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:35:27: 35 | integer,allocatable :: ictdum(:,:) | 1~~~~~~~~~~ Warning: Unused variable ‘ictdum’ declared at (1) [-Wunused-variable] [264/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_scc_core.f90.o -c ../src/scc_core.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:1462:19: 1462 | real(wp) ntot,fracz | 1~~~~ Warning: Unused variable ‘fracz’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1450:50: 1450 | 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.f90:1463:38: 1463 | 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.f90:1463:14: 1463 | 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.f90:1463:34: 1463 | 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.f90:1416:50: 1416 | 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.f90:1427:42: 1427 | 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.f90:1427:18: 1427 | 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.f90:1427:38: 1427 | 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.f90:1397:16: 1397 | integer i,j,ii,jj,js,mmm(20) | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1355:22: 1355 | integer i,j,ii,jj,ij | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1349:19: 1349 | subroutine mpopsh(n,nao,nshell,ao2sh,S,P,qsh) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1323:22: 1323 | integer i,j,ii,jj,ij,is,js,mmm(20) | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1293:19: 1293 | subroutine mpopao(n,nao,S,P,qao) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1274:22: 1274 | integer i,j,ii,jj,ij,is,js | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1274:25: 1274 | integer i,j,ii,jj,ij,is,js | 1~ Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1274:28: 1274 | integer i,j,ii,jj,ij,is,js | 1~ Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1245:22: 1245 | integer i,j,ii,jj,ij,is,js | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1245:25: 1245 | integer i,j,ii,jj,ij,is,js | 1~ Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1245:28: 1245 | integer i,j,ii,jj,ij,is,js | 1~ Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1194:43: 1194 | subroutine get_unrestricted_wiberg(n,ndim,at,xyz,Pa,Pb,S,wb,fila2) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:1159:30: 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.f90:970:30: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1~ Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:33: 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.f90:874:34: 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.f90:886:41: 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.f90:886:44: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1~~ Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:34: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1~~~~~ Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:19: 889 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:22: 889 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:13: 889 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:16: 889 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:772:35: 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.f90:787:28: 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.f90:772:29: 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.f90:785:41: 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.f90:785:44: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1~~ Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:34: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1~~~~~ Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:19: 788 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:22: 788 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:13: 788 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:16: 788 | real(wp) w0,w1,t0,t1 | 1~ Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:729:26: 729 | pure subroutine setespot(nshell, qsh, jmat, shellShift) | 1~~~~~ Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:704:20: 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.f90:655:27: 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.f90:668:16: 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.f90:368:20: 368 | real(wp) :: eh1,dum,tgb | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:16: 368 | real(wp) :: eh1,dum,tgb | 1~~ Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:18: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:366:16: 366 | integer :: ishell,jshell | 1~~~~~ Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:23: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:366:23: 366 | integer :: ishell,jshell | 1~~~~~ Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:28: 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.f90:241:22: 241 | & minpr,pr, & | 1~ Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:231:29: 231 | & q,dipm,qp,qq,qlmom,qsh,zsh, & | 1~~~~ Warning: Unused dummy argument ‘qlmom’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:367:16: 367 | real(wp) :: t8,t9 | 1~ Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:19: 367 | real(wp) :: t8,t9 | 1~ Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:24: 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.f90:229:20: 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.f90:151:57: 151 | H,S,dpint,qpint,vs,vd,vq,aoat2,ao2sh) | 1~~~~ Warning: Unused dummy argument ‘ao2sh’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:150:31: 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.f90:176:16: 176 | integer :: ishell,jshell | 1~~~~~ Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:176:23: 176 | integer :: ishell,jshell | 1~~~~~ Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:175:22: 175 | integer :: ii,jj,kk | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:150:39: 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.f90:177:24: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1~ Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:177:27: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1~ Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:177:30: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1~~ Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:111:28: 111 | & H0, S, shellShift, aoat2, ao2sh) | 1~~~~ Warning: Unused dummy argument ‘aoat2’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:110:32: 110 | subroutine buildIsotropicH1(n, at, ndim, nshell, nmat, matlist, H, & | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:129:16: 129 | real(wp) :: dum | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:16: 128 | integer :: ii,jj,kk | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:19: 128 | integer :: ii,jj,kk | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:22: 128 | integer :: ii,jj,kk | 1~ Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:20: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1~ Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:23: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1~ Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:26: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1~~ Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:729:6: 729 | pure subroutine setespot(nshell, qsh, jmat, shellShift) | ^~~~~~~~~~~~~~~~~~~ Warning: ‘setespot’ defined but not used [-Wunused-function] [265/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gfnff_qm.f90.o -c ../src/gfnff/gfnff_qm.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_qm.f90:22:25: 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] [266/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_axis_trafo.f90.o -c ../src/axis_trafo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/axis_trafo.f90:401:5: 401 | 80 evec(j,1)=-evec(j,1) | 1 Warning: Label 80 at (1) defined but not used [-Wunused-label] ../src/axis_trafo.f90:337:32: 337 | subroutine axis3(mode,numat,nat,coord,coordout,eig) | 1~~ Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:238:28: 238 | subroutine axisvec(numat,nat,xyz,aa,bb,cc,evec) | 1~~ Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:152:25: 152 | real(wp) :: xsum,eps,ams | 1~~ Warning: Unused variable ‘ams’ declared at (1) [-Wunused-variable] ../src/axis_trafo.f90:152:21: 152 | real(wp) :: xsum,eps,ams | 1~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../src/axis_trafo.f90:152:16: 152 | real(wp) :: xsum,eps,ams | 1~~~ Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/axis_trafo.f90:21:25: 21 | subroutine axis(numat,nat,xyz,aa,bb,cc) | 1~~ Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] [267/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_docking_param.f90.o -c ../src/docking/param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/docking/param.f90:1016:40: 1016 | real(wp) :: dx, dy, dz, r, damp, rr, rco, r2 | 1~ Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:997:18: 997 | integer :: iat, i, j | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:997:26: 997 | integer :: iat, i, j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:971:33: 971 | real(wp) :: r, tr, xi(3), cntmp | 1~~~~ Warning: Unused variable ‘cntmp’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:971:19: 971 | real(wp) :: r, tr, xi(3), cntmp | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:899:26: 899 | & lmo1, lmo2, rlmo1, rlmo2) | 1~~~ Warning: Unused dummy argument ‘lmo1’ at (1) [-Wunused-dummy-argument] ../src/docking/param.f90:899:32: 899 | & lmo1, lmo2, rlmo1, rlmo2) | 1~~~ Warning: Unused dummy argument ‘lmo2’ at (1) [-Wunused-dummy-argument] ../src/docking/param.f90:710:18: 710 | integer :: i, j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:577:18: 577 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:564:18: 564 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:327:58: 327 | subroutine diptot(n1, n2, nl1, nl2, c1, c2, cl1, cl2, l1, l2, q1, q2, dipol) | 1~ Warning: Unused dummy argument ‘l1’ at (1) [-Wunused-dummy-argument] ../src/docking/param.f90:327:62: 327 | subroutine diptot(n1, n2, nl1, nl2, c1, c2, cl1, cl2, l1, l2, q1, q2, dipol) | 1~ Warning: Unused dummy argument ‘l2’ at (1) [-Wunused-dummy-argument] [268/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_main_geometry.f90.o -c ../src/main/geometry.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:132:16: 132 | integer :: iat,jat | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:133:16: 133 | integer :: imax,imin | 1~~~ Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:133:21: 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.f90:132:20: 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.f90:149:16: 149 | real(wp) :: moments(3) | 1~~~~~~~~~ Warning: Unused variable ‘moments’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:323:15: 323 | integer :: imax,imin | 1~~~ Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:323:20: 323 | integer :: imax,imin | 1~~~ Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:462:28: 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.f90:290:15: 290 | integer :: imax,imin | 1~~~ Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:290:20: 290 | integer :: imax,imin | 1~~~ Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:419:26: 419 | subroutine calc_angles(n,at,xyz,bond,maxbend,nbend,bend,ib) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [269/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_model_hessian.f90.o -c ../src/model_hessian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:1817:16: 1817 | real(wp) :: es,expterm,erfterm | 1~ Warning: Unused variable ‘es’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1790:30: 1790 | real(wp),allocatable :: hessian(:,:,:,:) ! molecular hessian of IES | 1~~~~~~~~~~~~~~~ Warning: Unused variable ‘hessian’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1818:16: 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.f90:1816:16: 1816 | real(wp) :: lambda | 1~~~~~ Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1819:16: 1819 | real(wp) :: rcovij,rr | 1~~~~~ Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1819:23: 1819 | real(wp) :: rcovij,rr | 1~ Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1832:28: 1832 | real(wp),allocatable :: temp(:) | 1~~~~~~ Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1815:25: 1815 | real(wp) :: arg,arg2,tmp,dtmp | 1~~ Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1589:16: 1589 | real(wp) :: rij(3),rij1,brij(3,2) | 1~~~~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1590:16: 1590 | real(wp) :: rjk(3),rjk1,brjk(3,2) | 1~~~~~ Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1591:16: 1591 | real(wp) :: rkl(3),rkl1,brkl(3,2) | 1~~~~~ Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1325:16: 1325 | real(wp) :: beta,tij,tau | 1~~~ Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1194:16: 1194 | real(wp) :: beta,tij,tau,dum(3,4,3,4) | 1~~~ Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1193:30: 1193 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1~~~~~ Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:979:16: 979 | real(wp) :: alpha | 1~~~~ Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:593:16: 593 | real(wp) :: beta,tij,tau | 1~~~ Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:18: 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.f90:587:23: 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.f90:587:28: 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.f90:587:33: 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.f90:469:28: 469 | real(wp) :: rij(3),rij0,aij,rij2,d0ij,gij | 1~~ Warning: Unused variable ‘aij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:470:28: 470 | real(wp) :: rjk(3),rjk0,ajk,rjk2,d0jk,gjk | 1~~ Warning: Unused variable ‘ajk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:471:28: 471 | real(wp) :: rkl(3),rkl0,akl,rkl2,d0kl,gkl | 1~~ Warning: Unused variable ‘akl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:473:16: 473 | real(wp) :: beta,tij,tau | 1~~~ Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:472:30: 472 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1~~~~~ Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:264:16: 264 | real(wp) :: alpha | 1~~~~ Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:3155:38: 3155 | 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.f90:2133:14: 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.f90:2133:24: 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.f90:2134:20: 2134 | & vdw(3,3), dr(3) | 1~~~~ Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2135:15: 2135 | integer kxyz, lxyz | 1~~~ Warning: Unused variable ‘kxyz’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2135:21: 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.f90:464:33: note: ‘kl’ was declared here 464 | integer :: i,j,k,l,ic,jc,ij,kl | ^~ [270/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_grad_core.f90.o -c ../src/grad_core.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/grad_core.f90:33:35: 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.f90:47:33: 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.f90:47:37: 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.f90:47:41: 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.f90:48:40: 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.f90:48:44: 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.f90:48:52: 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.f90:48:32: 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.f90:48:48: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1~~ Warning: Unused variable ‘t35’ declared at (1) [-Wunused-variable] [271/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_geosum.f90.o -c ../src/geosum.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/geosum.f90:34:20: 34 | integer nm,ij,m,iat,jat, nsel | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:15: 34 | integer nm,ij,m,iat,jat, nsel | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:25: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1~~~ Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:35:25: 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.f90:34:24: 34 | integer nm,ij,m,iat,jat, nsel | 1~~ Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:31: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1~~~ Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:12: 34 | integer nm,ij,m,iat,jat, nsel | 1~ Warning: Unused variable ‘nm’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:18: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1~~ Warning: Unused variable ‘xxx’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:22: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1~~ Warning: Unused variable ‘yyy’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:26: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1~~ Warning: Unused variable ‘zzz’ declared at (1) [-Wunused-variable] [272/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_intmodes.f90.o -c ../src/intmodes.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intmodes.f90:897:25: 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.f90:275:32: 275 | integer :: i,j,k,m,nm,ntot,mm | 1~ Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:264:28: 264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,& | 1~~~~~ Warning: Unused dummy argument ‘molvec’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:264:38: 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.f90:106:20: 106 | subroutine bzmat(n,at,xyzin,bmat) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:117:22: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1~ Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:28: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1~ Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:25: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:37:26: 37 | integer k,j,kl,l,lend,n36 | 1~~ Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:36:13: 36 | real(wp) norm | 1~~~ Warning: Unused variable ‘norm’ declared at (1) [-Wunused-variable] [273/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_constr.f90.o -c ../src/constr.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constr.f90:174:12: 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.f90:174:57: 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.f90:173:63: 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.f90:495:39: 495 | & sinphi,cosphi,onenner,thab,thbc,& | 1~~~ Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/constr.f90:495:44: 495 | & sinphi,cosphi,onenner,thab,thbc,& | 1~~~ Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:500:51: 500 | & xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1~ Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] ../src/constr.f90:820:13: 820 | & rab,rbc,thab,thbc,valijk,& | 1~~ Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/constr.f90:820:17: 820 | & rab,rbc,thab,thbc,valijk,& | 1~~ Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:821:29: 821 | & vecnorm,nan,nbn,rcn,snanb,deter,pi,test,& | 1~~ Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:25: 87 | real(wp) phi,valijkl,a1,a2 | 1~ Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:28: 87 | real(wp) phi,valijkl,a1,a2 | 1~ Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:17: 87 | real(wp) phi,valijkl,a1,a2 | 1~~~~~~ Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable] ../src/constr.f90:575:39: 575 | & sinphi,cosphi,onenner,thab,thbc,& | 1~~~ Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/constr.f90:575:44: 575 | & sinphi,cosphi,onenner,thab,thbc,& | 1~~~ Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:580:51: 580 | & xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1~ Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] ../src/constr.f90:1000:24: 1000 | & vecnorm,rkjn,rljn,rnn,rvn | 1~~~ Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/constr.f90:1000:29: 1000 | & vecnorm,rkjn,rljn,rnn,rvn | 1~~~ Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] ../src/constr.f90:1032:24: 1032 | & vecnorm,rkjn,rljn,rnn,rvn | 1~~~ Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/constr.f90:1032:29: 1032 | & vecnorm,rkjn,rljn,rnn,rvn | 1~~~ Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] ../src/constr.f90: In function ‘banglpbc_’: ../src/constr.f90:1198:80: warning: ‘d2ij’ may be used uninitialized [-Wmaybe-uninitialized] 1198 | temp = 0.5d0 * (d2ij+d2jk-d2ik) / xy ! the angle is between side dij and djk | ^ ../src/constr.f90:1184:13: note: ‘d2ij’ was declared here 1184 | real(wp) d2ij,d2jk,d2ik,xy,temp,trV(3),trV2(3) | ^~~~ ../src/constr.f90:1198:80: warning: ‘d2ik’ may be used uninitialized [-Wmaybe-uninitialized] 1198 | temp = 0.5d0 * (d2ij+d2jk-d2ik) / xy ! the angle is between side dij and djk | ^ ../src/constr.f90:1184:23: note: ‘d2ik’ was declared here 1184 | real(wp) d2ij,d2jk,d2ik,xy,temp,trV(3),trV2(3) | ^~~~ ../src/constr.f90:1198:80: warning: ‘d2jk’ may be used uninitialized [-Wmaybe-uninitialized] 1198 | temp = 0.5d0 * (d2ij+d2jk-d2ik) / xy ! the angle is between side dij and djk | ^ ../src/constr.f90:1184:18: note: ‘d2jk’ was declared here 1184 | real(wp) d2ij,d2jk,d2ik,xy,temp,trV(3),trV2(3) | ^~~~ [274/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_hessian.F90.o -c ../src/hessian.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/hessian.F90:574:43: 574 | 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.F90:574:45: 574 | 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.F90:548:9: 548 | & env,mol,hbias) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:574:19: 574 | 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.F90:574:21: 574 | 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.F90:574:23: 574 | 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.F90:82:22: 82 | type(TRestart) :: chk | 1~~ Warning: Unused variable ‘chk’ declared at (1) [-Wunused-variable] ../src/hessian.F90:86:35: 86 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1~~~~~~~~ Warning: Unused variable ‘dipole’ declared at (1) [-Wunused-variable] ../src/hessian.F90:84:44: 84 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/hessian.F90:84:39: 84 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1~~~ Warning: Unused variable ‘dumi’ declared at (1) [-Wunused-variable] ../src/hessian.F90:85:16: 85 | 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.F90:73:16: 73 | real(wp) :: ebias | 1~~~~ Warning: Unused variable ‘ebias’ declared at (1) [-Wunused-variable] ../src/hessian.F90:72:16: 72 | real(wp) :: eel | 1~~ Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable] ../src/hessian.F90:120:15: 120 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:14: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1~ Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:33:25: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1~~~ Warning: Unused dummy argument ‘etot’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:118:15: 118 | logical :: ex,rd | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/hessian.F90:121:42: 121 | character(len=:),allocatable :: hname,fname | 1~~~~ Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:30: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1~ Warning: Unused dummy argument ‘gr’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:85:56: 85 | 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.F90:85:52: 85 | 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.F90:119:15: 119 | integer :: ich ! file handle | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/hessian.F90:89:27: 89 | integer :: nread,kend,lowmode | 1~~~~~~ Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:17: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1~~~~~~ Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:95:16: 95 | !$ integer :: nproc | 1~~~~ Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable] ../src/hessian.F90:89:16: 89 | integer :: nread,kend,lowmode | 1~~~~ Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/hessian.F90:88:58: 88 | 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.F90:84:16: 84 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1~~~~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/hessian.F90:88:61: 88 | 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.F90:83:30: 83 | type(scc_results) :: sccr,sccl | 1~~~ Warning: Unused variable ‘sccl’ declared at (1) [-Wunused-variable] ../src/hessian.F90:87:25: 87 | real(wp) :: trpol(3),sl(3,3) | 1~~~~~~ Warning: Unused variable ‘sl’ declared at (1) [-Wunused-variable] ../src/hessian.F90:86:16: 86 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1~~~ Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:84:36: 84 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/hessian.F90:84:33: 84 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:116:23: 116 | type(TMolecule) :: tmol | 1~~~ Warning: Unused variable ‘tmol’ declared at (1) [-Wunused-variable] ../src/hessian.F90:87:16: 87 | real(wp) :: trpol(3),sl(3,3) | 1~~~~~~~ Warning: Unused variable ‘trpol’ declared at (1) [-Wunused-variable] ../src/hessian.F90:85:25: 85 | 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.F90:85:28: 85 | 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.F90:84:28: 84 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1~~~ Warning: Unused variable ‘zpve’ declared at (1) [-Wunused-variable] [275/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_hamiltonian.f90.o -c ../src/xtb/hamiltonian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/hamiltonian.f90:612:48: 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.f90:616:50: 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.f90:616:24: 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.f90:613:13: 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.f90:613:16: 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.f90:617:37: 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.f90:617:40: 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.f90:617:34: 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.f90:617:43: 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.f90:617:28: 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.f90:617:46: 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.f90:617:49: 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.f90:617:31: 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.f90:566:14: 566 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1~~ Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:566:19: 566 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1~~ Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:614:45: 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.f90:615:46: 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.f90:616:37: 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.f90:612:17: 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.f90:612:20: 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.f90:615:32: 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.f90:615:39: 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.f90:614:18: 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.f90:614:27: 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.f90:614:36: 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.f90:615:23: 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.f90:611:55: 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.f90:611:50: 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.f90:611:45: 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.f90:612:13: 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.f90:616:14: 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.f90:611:28: 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.f90:611:33: 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.f90:611:39: 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.f90:612:26: 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.f90:612:29: 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.f90:612:32: 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.f90:612:35: 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.f90:611:13: 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.f90:611:18: 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.f90:611:23: 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.f90:612:23: 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.f90:412:48: 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.f90:416:50: 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.f90:416:24: 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.f90:413:13: 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.f90:413:16: 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.f90:417:52: 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.f90:417:37: 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.f90:417:40: 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.f90:417:34: 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.f90:417:43: 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.f90:417:28: 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.f90:417:46: 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.f90:417:49: 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.f90:417:31: 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.f90:368:73: 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.f90:368:78: 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.f90:414:45: 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.f90:415:46: 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.f90:416:37: 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.f90:412:17: 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.f90:412:20: 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.f90:415:32: 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.f90:415:39: 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.f90:414:18: 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.f90:414:27: 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.f90:414:36: 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.f90:415:23: 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.f90:411:55: 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.f90:411:50: 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.f90:411:45: 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.f90:412:13: 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.f90:416:14: 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.f90:411:28: 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.f90:411:33: 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.f90:411:39: 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.f90:412:26: 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.f90:412:29: 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.f90:412:32: 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.f90:412:35: 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.f90:411:13: 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.f90:411:18: 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.f90:411:23: 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.f90:412:23: 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.f90:187:48: 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.f90:187:51: 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.f90:190:13: 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.f90:186:13: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:16: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:19: 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.f90:189:26: 189 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1~ Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:189:29: 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.f90:184:37: 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.f90:184:40: 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.f90:184:34: 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.f90:184:43: 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.f90:184:28: 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.f90:184:46: 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.f90:184:49: 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.f90:184:31: 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.f90:146:48: 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.f90:190:21: 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.f90:187:17: 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.f90:187:20: 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.f90:186:32: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~ Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:27: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:22: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:13: 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.f90:185:33: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:38: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~~ Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:26: 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.f90:187:29: 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.f90:187:32: 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.f90:187:35: 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.f90:187:38: 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.f90:185:23: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:28: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:23: 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.f90:614:13: note: ‘stmp’ was declared here 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | ^~~~ [276/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_hamiltonian_gpu.f90.o -c ../src/xtb/hamiltonian_gpu.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:815:61: 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.f90:815:48: 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.f90:819:50: 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.f90:819:24: 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.f90:816:13: 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.f90:816:16: 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.f90:820:52: 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.f90:820:37: 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.f90:820:40: 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.f90:820:34: 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.f90:820:43: 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.f90:820:28: 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.f90:820:46: 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.f90:820:49: 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.f90:820:31: 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.f90:771:77: 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.f90:771:82: 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.f90:817:45: 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.f90:818:46: 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.f90:819:37: 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.f90:815:17: 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.f90:815:20: 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.f90:818:32: 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.f90:818:39: 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.f90:817:18: 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.f90:817:27: 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.f90:817:36: 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.f90:818:23: 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.f90:814:55: 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.f90:814:50: 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.f90:814:45: 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.f90:815:13: 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.f90:819:14: 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.f90:814:28: 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.f90:814:33: 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.f90:814:39: 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.f90:815:26: 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.f90:815:29: 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.f90:815:32: 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.f90:815:35: 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.f90:816:19: 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.f90:814:13: 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.f90:814:18: 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.f90:814:23: 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.f90:815:23: 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.f90:238:24: 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.f90:241:13: 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.f90:242:60: 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.f90:199:57: 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.f90:199:52: 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.f90:241:21: 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.f90:238:13: 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.f90:90:48: 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.f90:103:28: 103 | real(wp) :: rab2,rab(3),est,gm | 1~~ Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:101:17: 101 | real(wp) :: gama,kab | 1~~~ Warning: Unused variable ‘gama’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:32: 103 | real(wp) :: rab2,rab(3),est,gm | 1~ Warning: Unused variable ‘gm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:101:22: 101 | real(wp) :: gama,kab | 1~~ Warning: Unused variable ‘kab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:21: 103 | real(wp) :: rab2,rab(3),est,gm | 1~~~~~ Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:16: 103 | real(wp) :: rab2,rab(3),est,gm | 1~~~ Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:1065:1: 1065 | subroutine dtrf_gpu(s,li,lj) | ^~~~~~~~~~~~~~~~~~~ Warning: ‘dtrf_gpu’ defined but not used [-Wunused-function] [277/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dynamic.f90.o -c ../src/dynamic.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dynamic.f90:895:0: 895 | 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.f90:805:3: 805 | 20 call ekinet(n,velo,mass,edum) | 1 Warning: Label 20 at (1) defined but not used [-Wunused-label] ../src/dynamic.f90:899:9: 899 | irand=n*x | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:249:10: 249 | 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.f90:250:12: 250 | 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.f90:273:8: 273 | nmax=tmax*1000/tstep0 | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/dynamic.f90:274:24: 274 | 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.f90:897:11: 897 | real x,ranf | 1~~~ Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:862:28: 862 | integer, allocatable :: iseed(:) | 1~~~~~~~ Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:861:14: 861 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:858:11: 858 | real x,ranf | 1~~~ Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:835:36: 835 | character(len=:),allocatable :: fname | 1~~~~ Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:787:22: 787 | integer iat(n),nh,i,j | 1~ Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:732:26: 732 | subroutine blocksd(n,nbl,ebl,tbl,esd,tsd) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/dynamic.f90:180:34: 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.f90:180:28: 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.f90:177:42: 177 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt | 1~~~~~ Warning: Unused variable ‘cma’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:177:38: 177 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt | 1~~ Warning: Unused variable ‘dav’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:44: 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.f90:178:16: 178 | real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:175:21: 175 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1~~~ Warning: Unused variable ‘eel1’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:16: 182 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:202:15: 202 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:200:36: 200 | character(len=:),allocatable :: fname | 1~~~~ Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:184:27: 184 | 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.f90:184:55: 184 | 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.f90:184:21: 184 | 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.f90:184:33: 184 | 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.f90:184:30: 184 | 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.f90:184:24: 184 | 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.f90:184:36: 184 | 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.f90:182:56: 182 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:184:39: 184 | 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.f90:175:16: 175 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1~~~ Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:193:28: 193 | real(wp),allocatable :: tmpx(:,:) | 1~~~~~~~~ Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:40: 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.f90:178:32: 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.f90:633:15: warning: ‘intgeo.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] 633 | if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes | ^ ../src/dynamic.f90:196:28: note: ‘intgeo.dim[1].stride’ was declared here 196 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^~~~~~~~~~~ ../src/dynamic.f90:633:15: warning: ‘intgeo.offset’ may be used uninitialized [-Wmaybe-uninitialized] 633 | if(tors(j)-intgeo(3,j).gt.pi)intgeo(3,j)=intgeo(3,j)+2.d0*pi ! check 0/180 torsion changes | ^ ../src/dynamic.f90:196:28: note: ‘intgeo.offset’ was declared here 196 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^~~~~~~~~~~ [278/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_pocketscan.f90.o -c ../src/pocketscan.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pocketscan.f90:120:29: 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.f90:234:28: 234 | subroutine ifaceaxis(numat,nat,coord,cma1,trfm1,cma2,trfm2) | 1~~ Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/pocketscan.f90:32:16: 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] [279/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_sphereparam.f90.o -c ../src/sphereparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/sphereparam.f90:838:23: 838 | 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.f90:838:33: 838 | 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.f90:838:37: 838 | 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.f90:789:23: 789 | 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.f90:789:37: 789 | 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.f90:684:38: 684 | subroutine polynomial_cavity_all(nat,at,xyz,alpha,center,radius,& | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:650:39: 650 | subroutine polynomial_cavity_frag(nat,at,xyz,fragment,alpha,center,radius,& | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:616:39: 616 | 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.f90:559:46: 559 | subroutine logfermi_cavity_sandwich_list(nat,at,xyz,nlist,list,temp,alpha,center,radius,& | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:503:46: 503 | subroutine logfermi_cavity_sandwich_frag(nat,at,xyz,fragment,temp,alpha,center,radius,& | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:450:45: 450 | subroutine logfermi_cavity_sandwich_all(nat,at,xyz,temp,alpha,center,radius,& | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:417:36: 417 | subroutine logfermi_cavity_all(nat,at,xyz,temp,alpha,center,radius,& | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:381:37: 381 | 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.f90:345:37: 345 | 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.f90:161:27: 161 | subroutine getsphererad(n,at,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:167:16: 167 | real(wp) :: dum(3),rx,ry,rz | 1~~~~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:168:22: 168 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:168:16: 168 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:168:18: 168 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:168:20: 168 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable] [280/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_stm.f.o -c ../src/stm.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/stm.f:226:44: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1~~ Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/stm.f:226:36: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1~~ Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/stm.f:226:40: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1~~ Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable] ../src/stm.f:207:37: 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:225:44: 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:225:47: 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:225:39: 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:225:50: 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:225:53: 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:227:24: 227 | real(wp) tt1,ttt,thr,cce,pthr2 | 1~~ Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] ../src/stm.f:25:35: 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:40:60: 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:46:25: 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:40:25: 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:40:28: 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:40:31: 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:40:43: 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:40:46: 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:40:49: 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:40:52: 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] [281/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_local.f90.o -c ../src/local.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/local.f90:298:19: 298 | 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.f90:299:19: 299 | 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.f90:300:19: 300 | rklmo( 5,i)=real(jdum) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/local.f90:464:28: 464 | 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.f90:481:28: 481 | 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.f90:847:12: 847 | integer i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/local.f90:847:14: 847 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/local.f90:72:28: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1~ Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/local.f90:73:25: 73 | character(len=80) :: atmp | 1~~~ Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/local.f90:72:31: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1~ Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable] ../src/local.f90:72:34: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1~ Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/local.f90:70:23: 70 | 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.f90:33:7: 33 | use xtb_docking_param, only : dipol, ehomo, elumo | 1 Warning: Unused module variable ‘dipol’ which has been explicitly imported at (1) [-Wunused-variable] ../src/local.f90:33:7: 33 | use xtb_docking_param, only : dipol, ehomo, elumo | 1 Warning: Unused module variable ‘ehomo’ which has been explicitly imported at (1) [-Wunused-variable] ../src/local.f90:33:7: 33 | use xtb_docking_param, only : dipol, ehomo, elumo | 1 Warning: Unused module variable ‘elumo’ which has been explicitly imported at (1) [-Wunused-variable] ../src/local.f90:20:69: 20 | subroutine local(nat,at,nbf,nao,ihomo,xyz,z,focc,s,p,cmo,eig,q,etot,gbsa,basis,results) | 1~~~ Warning: Unused dummy argument ‘gbsa’ at (1) [-Wunused-dummy-argument] ../src/local.f90:66:46: 66 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/local.f90:66:26: 66 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1~~~ Warning: Unused variable ‘imo1’ declared at (1) [-Wunused-variable] ../src/local.f90:66:31: 66 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1~~~ Warning: Unused variable ‘imo2’ declared at (1) [-Wunused-variable] ../src/local.f90:61:28: 61 | integer, allocatable :: ind(:) | 1~~~~~ Warning: Unused variable ‘ind’ declared at (1) [-Wunused-variable] ../src/local.f90:77:31: 77 | integer LWORK,IWORK,LIWORK,INFO | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/local.f90:65:44: 65 | 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.f90:65:48: 65 | 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.f90:66:36: 66 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1~~~ Warning: Unused variable ‘iso1’ declared at (1) [-Wunused-variable] ../src/local.f90:66:41: 66 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1~~~ Warning: Unused variable ‘iso2’ declared at (1) [-Wunused-variable] ../src/local.f90:77:18: 77 | integer LWORK,IWORK,LIWORK,INFO | 1~~~~ Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/local.f90:66:12: 66 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1~~~~~ Warning: Unused variable ‘lamdu1’ declared at (1) [-Wunused-variable] ../src/local.f90:66:19: 66 | integer lamdu1,lamdu2,imo1,imo2,iso1,iso2,ij,jdum,maxlp,maxpi,is1 | 1~~~~~ Warning: Unused variable ‘lamdu2’ declared at (1) [-Wunused-variable] ../src/local.f90:77:24: 77 | integer LWORK,IWORK,LIWORK,INFO | 1~~~~~ Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/local.f90:77:12: 77 | integer LWORK,IWORK,LIWORK,INFO | 1~~~~ Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/local.f90:68:40: 68 | 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.f90:45:28: 45 | real(wp),allocatable :: oc(:,:,:) | 1~~~~~~~~ Warning: Unused variable ‘oc’ declared at (1) [-Wunused-variable] ../src/local.f90:72:16: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1~~~~~~~~~~ Warning: Unused variable ‘praxis’ declared at (1) [-Wunused-variable] ../src/local.f90:48:28: 48 | real(wp),allocatable :: qua (:,:) | 1~~~~~~~~ Warning: Unused variable ‘qua’ declared at (1) [-Wunused-variable] ../src/local.f90:71:52: 71 | real(wp) :: enlumo,enhomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3) | 1~ Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/local.f90:71:55: 71 | real(wp) :: enlumo,enhomo,qhl(nat,2),ps,efh,efl,r1,r2,pithr,vec2(3) | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/local.f90:57:28: 57 | real(wp),allocatable :: rr(:) | 1~~~~ Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/local.f90:70:69: 70 | 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.f90:59:28: 59 | real(wp),allocatable :: xyztmp(:,:) | 1~~~~~~~~~~ Warning: Unused variable ‘xyztmp’ declared at (1) [-Wunused-variable] [282/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_extern_mopac.f90.o -c ../src/extern/mopac.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/mopac.f90:361:34: 361 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:270:40: 270 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:297:17: 297 | integer :: i,ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:301:15: 301 | logical :: inmol | 1~~~~ Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:298:15: 298 | integer :: mode_sp_run = 1 | 1~~~~~~~~~~ Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:270:57: 270 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:202:24: 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] [283/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_extern_turbomole.f90.o -c ../src/extern/turbomole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/turbomole.f90:562:37: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~ Warning: Unused dummy argument ‘chk0’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:562:43: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~ Warning: Unused dummy argument ‘list’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:562:70: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~~~~ Warning: Unused dummy argument ‘polgrad’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:562:49: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~ Warning: Unused dummy argument ‘step’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:547:34: 547 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:469:32: 469 | 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.f90:469:35: 469 | 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.f90:469:38: 469 | 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.f90:212:23: 212 | character(len=255) atmp | 1~~~ Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:180:84: 180 | subroutine external_turbomole(env,n,at,xyz,nel,nopen,extcode,extmode,grd,eel,g,dip,lsolv,chrg,uhf) | 1~~~~ Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:180:44: 180 | subroutine external_turbomole(env,n,at,xyz,nel,nopen,extcode,extmode,grd,eel,g,dip,lsolv,chrg,uhf) | 1~~ Warning: Unused dummy argument ‘nel’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:180:48: 180 | subroutine external_turbomole(env,n,at,xyz,nel,nopen,extcode,extmode,grd,eel,g,dip,lsolv,chrg,uhf) | 1~~~~ Warning: Unused dummy argument ‘nopen’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:112:17: 112 | integer :: i,ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:116:15: 116 | logical :: inmol | 1~~~~ Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:113:15: 113 | integer :: mode_sp_run = 1 | 1~~~~~~~~~~ Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:85:57: 85 | 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.f90:504:6: warning: ‘nl’ may be used uninitialized [-Wmaybe-uninitialized] 504 | if(nl.lt.2)then | ^ ../src/extern/turbomole.f90:467:25: note: ‘nl’ was declared here 467 | integer n, iunit, i, nl, j, nn | ^~ [284/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gfnff_eg.f90.o -c ../src/gfnff/gfnff_eg.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_eg.f90:2033:12: 2033 | A4=Amat | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2034:12: 2034 | x4=x | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1858:9: 1858 | A4=A | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1859:9: 1859 | x4=x | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1071:68: 1071 | write(*,'(10x,"No H-atom found in this bond ",i0,1x,i0)'), iat,jat | 1 Warning: Legacy Extension: Comma before i/o item list at (1) ../src/gfnff/gfnff_eg.f90:4285:25: 4285 | integer :: iat, jat, izp, jzp, img | 1~~ Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4285:30: 4285 | integer :: iat, jat, izp, jzp, img | 1~~ Warning: Unused variable ‘jzp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4175:25: 4175 | integer :: iat, jat, izp, jzp, img | 1~~ Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4175:30: 4175 | integer :: iat, jat, izp, jzp, img | 1~~ Warning: Unused variable ‘jzp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4140:29: 4140 | real(wp), allocatable :: dXvecdr(:,:,:) | 1~~~~~~~~~~~~~ Warning: Unused variable ‘dxvecdr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4066:15: 4066 | real(wp) :: a(100) | 1~~~~~ Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4063:15: 4063 | real(wp) :: cfCurr | 1~~~~~ Warning: Unused variable ‘cfcurr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4065:37: 4065 | real(wp) :: lenR, minTmp, gr_diff,diffMin | 1~~~~~~ Warning: Unused variable ‘diffmin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4059:15: 4059 | real(wp) :: gPart, rPart | 1~~~~ Warning: Unused variable ‘gpart’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4065:29: 4065 | real(wp) :: lenR, minTmp, gr_diff,diffMin | 1~~~~~~ Warning: Unused variable ‘gr_diff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4074:16: 4074 | integer :: i,j,iter | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4065:21: 4065 | real(wp) :: lenR, minTmp, gr_diff,diffMin | 1~~~~~ Warning: Unused variable ‘mintmp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:4059:22: 4059 | real(wp) :: gPart, rPart | 1~~~~ Warning: Unused variable ‘rpart’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3525:38: 3525 | 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.f90:3277:15: 3277 | integer :: linij,linik,linjk,lina,i,j,iTrDum,dm1,dm2 | 1~~~~ Warning: Unused variable ‘linij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3277:21: 3277 | integer :: linij,linik,linjk,lina,i,j,iTrDum,dm1,dm2 | 1~~~~ Warning: Unused variable ‘linik’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3277:27: 3277 | integer :: linij,linik,linjk,lina,i,j,iTrDum,dm1,dm2 | 1~~~~ Warning: Unused variable ‘linjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3264:58: 3264 | subroutine batmgfnff_eg(n,iat,jat,kat,iTrj,iTrk,at,xyz,q,sqrab,srab,energy,g,ds,param,neigh) | 1~~~~ Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:3264:64: 3264 | subroutine batmgfnff_eg(n,iat,jat,kat,iTrj,iTrk,at,xyz,q,sqrab,srab,energy,g,ds,param,neigh) | 1~~~ Warning: Unused dummy argument ‘srab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:3152:35: 3152 | real*8 drax(3),drbx(3),drab(3),drm(3) | 1~~~~~ Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3155:11: 3155 | 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.f90:3155:17: 3155 | 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.f90:3159:11: 3159 | real*8 gqa,gqb,gqx | 1~~ Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3159:15: 3159 | real*8 gqa,gqb,gqx | 1~~ Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3159:19: 3159 | real*8 gqa,gqb,gqx | 1~~ Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3162:12: 3162 | integer i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3162:14: 3162 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3157:11: 3157 | real*8 qa,qb,qx | 1~ Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3151:38: 3151 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1~~~ Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3151:43: 3151 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1~~~ Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2837:15: 2837 | integer D | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2841:14: 2841 | real*8 delr | 1~~~ Warning: Unused variable ‘delr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2808:38: 2808 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1~~~~~ Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2820:14: 2820 | real*8 eabh | 1~~~ Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2786:46: 2786 | & gdr,param,topo,neigh,sigma,exitRun, mcf_ehb) | 1~~~~~~ Warning: Unused dummy argument ‘exitrun’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2824:14: 2824 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2824:18: 2824 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2824:22: 2824 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2838:31: 2838 | integer i,j,ii,jj,kk,ll,ij,lina,iTr,iTrDum,iTrR | 1~ Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2838:43: 2838 | integer i,j,ii,jj,kk,ll,ij,lina,iTr,iTrDum,iTrR | 1~~~~~ Warning: Unused variable ‘itrdum’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2838:34: 2838 | integer i,j,ii,jj,kk,ll,ij,lina,iTr,iTrDum,iTrR | 1~~~ Warning: Unused variable ‘lina’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2831:15: 2831 | logical mask_nb,t_mask(20) | 1~~~~~~ Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2830:14: 2830 | real*8 outl_nb,outl_nb_tot | 1~~~~~~ Warning: Unused variable ‘outl_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2805:41: 2805 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1~~~ Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2815:14: 2815 | real*8 ratio,qhoutl,radab | 1~~~~ Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2805:46: 2805 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1~~~ Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2785:59: 2785 | subroutine abhgfnff_eg3(n,A,B,H,iTrA,iTrB,C,iTrC,at,xyz,q,sqrab,srab,energy,& | 1~~~~ Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2785:65: 2785 | subroutine abhgfnff_eg3(n,A,B,H,iTrA,iTrB,C,iTrC,at,xyz,q,sqrab,srab,energy,& | 1~~~ Warning: Unused dummy argument ‘srab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2812:26: 2812 | real*8 phi,phi0,r0,t0,fc,tshift,bshift | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2804:14: 2804 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2804:17: 2804 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2804:20: 2804 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2507:14: 2507 | real*8 denom,ratio,qhoutl,radab | 1~~~~ Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2503:38: 2503 | 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.f90:2512:14: 2512 | real*8 eabh | 1~~~ Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2516:14: 2516 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2516:18: 2516 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2516:22: 2516 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2536:17: 2536 | integer i,j,nbb,inb,iTr!,iTrDum | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2501:41: 2501 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1~~~ Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2507:20: 2507 | real*8 denom,ratio,qhoutl,radab | 1~~~~ Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2501:46: 2501 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1~~~ Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2484:56: 2484 | subroutine abhgfnff_eg2_rnr(n,A,B,H,iTrA,iTrB,at,xyz,q,sqrab,srab,energy,gdr,param,topo,neigh,sigma, mcf_ehb) | 1~~~~ Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2484:62: 2484 | subroutine abhgfnff_eg2_rnr(n,A,B,H,iTrA,iTrB,at,xyz,q,sqrab,srab,energy,gdr,param,topo,neigh,sigma, mcf_ehb) | 1~~~ Warning: Unused dummy argument ‘srab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2500:14: 2500 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2500:17: 2500 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2500:20: 2500 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2261:14: 2261 | real*8 denom,ratio,qhoutl,radab | 1~~~~ Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2257:38: 2257 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1~~~~~ Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2266:14: 2266 | real*8 eabh | 1~~~ Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2270:14: 2270 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2270:18: 2270 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2270:22: 2270 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2282:17: 2282 | integer i,j,inb,iTr!,iTrDum!,ij,lina | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2255:41: 2255 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1~~~ Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2261:20: 2261 | real*8 denom,ratio,qhoutl,radab | 1~~~~ Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2255:46: 2255 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1~~~ Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2237:59: 2237 | subroutine abhgfnff_eg2new(n,A,B,H,iTrA,iTrB,nbb,at,xyz,q,sqrab, & | 1~~~~ Warning: Unused dummy argument ‘sqrab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2238:19: 2238 | & srab,energy,gdr, param,topo,neigh,sigma, mcf_ehb) | 1~~~ Warning: Unused dummy argument ‘srab’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:2254:14: 2254 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2254:17: 2254 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2254:20: 2254 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2091:38: 2091 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1~~~~~ Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2097:14: 2097 | real*8 eabh | 1~~~ Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2101:14: 2101 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2101:18: 2101 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2101:22: 2101 | real*8 gqa,gqb,gqh | 1~~ Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2105:15: 2105 | integer i,j!,iTrDum ! ij,lina | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2105:17: 2105 | integer i,j!,iTrDum ! ij,lina | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2094:23: 2094 | real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh | 1~~~~ Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2089:14: 2089 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2089:17: 2089 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2089:20: 2089 | real*8 xm,ym,zm | 1~ Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1935:28: 1935 | real(wp),allocatable :: A (:,:), x_right(:) | 1~~~~~~ Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1932:24: 1932 | integer :: m,i,j,k,ii,ij | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1934:32: 1934 | real(wp) :: gammij,tsqrt2pi,r2,tmp | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1792:32: 1792 | real(wp) :: gammij,tsqrt2pi,r2,tmp | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1631:12: 1631 | 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.f90:1631:38: 1631 | 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.f90:1639:19: 1639 | real*8 dampjl,damp2jl,valijklff | 1~~~~~~ Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1639:12: 1639 | real*8 dampjl,damp2jl,valijklff | 1~~~~~ Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1635:18: 1635 | 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.f90:1632:18: 1632 | 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.f90:1632:26: 1632 | 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.f90:1632:46: 1632 | 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.f90:1632:12: 1632 | 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.f90:1636:33: 1636 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~ Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1632:15: 1632 | 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.f90:1631:15: 1631 | 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.f90:1638:12: 1638 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1~~~~ Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1633:30: 1633 | 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.f90:1634:12: 1634 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~ Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1638:22: 1638 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1637:40: 1637 | 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.f90:1632:40: 1632 | 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.f90:1632:34: 1632 | 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.f90:1633:49: 1633 | 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.f90:1635:12: 1635 | 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.f90:1631:20: 1631 | 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.f90:1631:26: 1631 | 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.f90:1631:32: 1631 | 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.f90:1635:26: 1635 | 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.f90:1635:31: 1635 | 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.f90:1573:71: 1573 | subroutine egtors_nci_mul(i,j,k,l,vTrR,vTrB,vTrC,rn,phi,phi0,tshift,n,at,xyz,e,g) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:1584:12: 1584 | 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.f90:1584:41: 1584 | 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.f90:1587:17: 1587 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~ Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1587:29: 1587 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~~ Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1587:44: 1587 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~~ Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1592:19: 1592 | real*8 dampjl,damp2jl,valijklff | 1~~~~~~ Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1591:42: 1591 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1~~~~~~ Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1587:22: 1587 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~ Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1587:37: 1587 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~ Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1592:12: 1592 | real*8 dampjl,damp2jl,valijklff | 1~~~~~ Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1591:35: 1591 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1~~~~~ Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1588:18: 1588 | 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.f90:1585:18: 1585 | 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.f90:1585:26: 1585 | 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.f90:1585:46: 1585 | 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.f90:1585:12: 1585 | 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.f90:1589:33: 1589 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~ Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1585:15: 1585 | 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.f90:1584:18: 1584 | 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.f90:1591:12: 1591 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1~~~~ Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1586:30: 1586 | 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.f90:1587:12: 1587 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~ Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1591:22: 1591 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1590:40: 1590 | real*8 ddd(3),ddc(3),ddb(3),dda(3),rjl | 1~~ Warning: Unused variable ‘rjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1585:40: 1585 | 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.f90:1585:34: 1585 | 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.f90:1586:49: 1586 | 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.f90:1586:12: 1586 | 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.f90:1586:21: 1586 | 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.f90:1589:12: 1589 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~~~~ Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1588:12: 1588 | 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.f90:1584:23: 1584 | 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.f90:1592:27: 1592 | real*8 dampjl,damp2jl,valijklff | 1~~~~~~~~ Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1584:29: 1584 | 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.f90:1584:35: 1584 | 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.f90:1588:26: 1588 | 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.f90:1588:31: 1588 | 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.f90:1443:12: 1443 | real*8 c0,kijk,va(3),vb(3),vc(3),vd(3),cosa | 1~ Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1443:44: 1443 | real*8 c0,kijk,va(3),vb(3),vc(3),vd(3),cosa | 1~~~ Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1447:18: 1447 | 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.f90:1444:18: 1444 | 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.f90:1444:26: 1444 | 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.f90:1444:46: 1444 | 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.f90:1444:12: 1444 | 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.f90:1448:33: 1448 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~ Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1444:15: 1444 | 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.f90:1443:15: 1443 | real*8 c0,kijk,va(3),vb(3),vc(3),vd(3),cosa | 1~~~ Warning: Unused variable ‘kijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1445:30: 1445 | 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.f90:1446:12: 1446 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~ Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1450:25: 1450 | real*8 omegaPBC,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1444:40: 1444 | 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.f90:1444:34: 1444 | 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.f90:1445:49: 1445 | 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.f90:1447:12: 1447 | 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.f90:1447:26: 1447 | 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.f90:1447:31: 1447 | 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.f90:1380:44: 1380 | 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.f90:1384:19: 1384 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~~ Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1383:47: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~~~ Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1384:12: 1384 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~ Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1383:40: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~~ Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1382:33: 1382 | 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.f90:1382:26: 1382 | 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.f90:1382:19: 1382 | 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.f90:1382:12: 1382 | 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.f90:1380:40: 1380 | 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.f90:1381:36: 1381 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1381:33: 1381 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~ Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1380:37: 1380 | 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.f90:1383:12: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~ Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1382:44: 1382 | 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.f90:1383:27: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1383:18: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1383:22: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1383:36: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1382:40: 1382 | 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.f90:1383:32: 1383 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1384:37: 1384 | real*8 dampjl,damp2jl,valijklff,rn | 1~ Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1381:12: 1381 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~~~~ Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1384:27: 1384 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~~~~ Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1381:42: 1381 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~~ Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1381:27: 1381 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1381:21: 1381 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1305:51: 1305 | subroutine egbend_nci_mul(j,i,k,vTrB,vTrC,c0,fc,n,at,xyz,e,g) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:1320:44: 1320 | 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.f90:1319:17: 1319 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~ Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1319:29: 1319 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~~ Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1319:44: 1319 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~~ Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1324:19: 1324 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~~ Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1323:47: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~~~ Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1319:22: 1319 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~ Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1319:37: 1319 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1~~~~~ Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1324:12: 1324 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~ Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1323:40: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~~ Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1322:33: 1322 | 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.f90:1322:26: 1322 | 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.f90:1322:19: 1322 | 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.f90:1322:12: 1322 | 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.f90:1320:40: 1320 | 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.f90:1321:36: 1321 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1321:33: 1321 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~ Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1320:37: 1320 | 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.f90:1323:12: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~ Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1322:44: 1322 | 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.f90:1323:27: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1323:18: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1323:22: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1323:36: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1322:40: 1322 | 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.f90:1323:32: 1323 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1324:37: 1324 | real*8 dampjl,damp2jl,valijklff,rn | 1~ Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1318:12: 1318 | 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.f90:1318:21: 1318 | 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.f90:1321:12: 1321 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~~~~ Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1324:27: 1324 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~~~~ Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1321:42: 1321 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~~ Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1321:27: 1321 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1321:21: 1321 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1235:44: 1235 | 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.f90:1239:19: 1239 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~~ Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1238:47: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~~~ Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1239:12: 1239 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~ Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1238:40: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~~ Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1237:33: 1237 | 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.f90:1237:26: 1237 | 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.f90:1237:19: 1237 | 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.f90:1237:12: 1237 | 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.f90:1235:40: 1235 | 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.f90:1236:36: 1236 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1236:33: 1236 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~ Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1235:37: 1235 | 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.f90:1238:12: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~~ Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1237:44: 1237 | 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.f90:1238:27: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1238:18: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1238:22: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~~ Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1238:36: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1237:40: 1237 | 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.f90:1238:32: 1238 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1~~ Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1239:37: 1239 | real*8 dampjl,damp2jl,valijklff,rn | 1~ Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1236:12: 1236 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~~~~ Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1239:27: 1239 | real*8 dampjl,damp2jl,valijklff,rn | 1~~~~~~~~ Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1236:42: 1236 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~~ Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1236:27: 1236 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1236:21: 1236 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1~~~~ Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1168:16: 1168 | real(wp) :: cn_thr | 1~~~~~ Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1173:16: 1173 | integer :: jA,jH | 1~ Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1173:19: 1173 | integer :: jA,jH | 1~ Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1171:16: 1171 | integer :: lin,linAH | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1171:20: 1171 | integer :: lin,linAH | 1~~~~ Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1053:26: 1053 | real(wp) :: rbh(3),r2 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1053:19: 1053 | real(wp) :: rbh(3),r2 | 1~~~~~ Warning: Unused variable ‘rbh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:56: 954 | subroutine egbond(i,iat,jat,iTr,rab,rij,drij,drijdcn,n,at,xyz,e,g,sigma,neigh,rab0,dEdcn) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:975:15: 975 | integer j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:79: 954 | subroutine egbond(i,iat,jat,iTr,rab,rij,drij,drijdcn,n,at,xyz,e,g,sigma,neigh,rab0,dEdcn) | 1~~~ Warning: Unused dummy argument ‘rab0’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:976:21: 976 | real*8 dr,dum,ri(3),rj(3),rk(3),vrab(3) | 1~~~~ Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:976:27: 976 | real*8 dr,dum,ri(3),rj(3),rk(3),vrab(3) | 1~~~~ Warning: Unused variable ‘rj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:976:33: 976 | real*8 dr,dum,ri(3),rj(3),rk(3),vrab(3) | 1~~~~ Warning: Unused variable ‘rk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:184:43: 184 | 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.f90:182:31: 182 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39,vec(3) | 1~~~ Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:180:12: 180 | logical ex, require_update | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:178:12: 178 | integer hbA,hbB,nbk,nbnbk | 1~~ Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:178:16: 178 | integer hbA,hbB,nbk,nbnbk | 1~~ Warning: Unused variable ‘hbb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:175:71: 175 | integer i,j,k,l,m,ij,nd3,iTr,iTri,iTrj,iTrk,iTrl,iTrDum,wscAt,atnb,inb,nbb | 1~~ Warning: Unused variable ‘inb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:179:12: 179 | integer lin | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:186:12: 186 | 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.f90:185:31: 185 | real*8 gammij,eesinf,etmp,phi,valijklff | 1~~ Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:182:19: 182 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39,vec(3) | 1~~ Warning: Unused variable ‘qq0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:147:28: 147 | real(wp),allocatable :: rec_tVec(:,:) | 1~~~~~~~~~~~~ Warning: Unused variable ‘rec_tvec’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:183:39: 183 | 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.f90:182:49: 182 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39,vec(3) | 1~~ Warning: Unused variable ‘t22’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:184:51: 184 | 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.f90:182:53: 182 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39,vec(3) | 1~~ Warning: Unused variable ‘t39’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:185:35: 185 | real*8 gammij,eesinf,etmp,phi,valijklff | 1~~~~~~~~ Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:175:60: 175 | integer i,j,k,l,m,ij,nd3,iTr,iTri,iTrj,iTrk,iTrl,iTrDum,wscAt,atnb,inb,nbb | 1~~~~ Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1365:1: 1365 | subroutine egbend_nci(j,i,k,c0,kijk,n,at,xyz,e,g,param) | ^~~~~~~~~~~~~~~~~~~~~ Warning: ‘egbend_nci’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:1619:1: 1619 | subroutine egtors_nci(i,j,k,l,rn,phi0,fc,n,at,xyz,e,g,param) | ^~~~~~~~~~~~~~~~~~~~~ Warning: ‘egtors_nci’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3525:0: 3525 | pure elemental function create_erfCN(k,r,r0) result(count) Warning: ‘create_erfcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3556:0: 3556 | pure elemental function create_expCN(k,r,r0) result(count) Warning: ‘create_expcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3567:0: 3567 | pure elemental function create_dexpCN(k,r,r0) result(count) Warning: ‘create_dexpcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3584:1: 3584 | subroutine ncoordNeighs(mol, neighs, neighlist, kcn, cfunc, dfunc, enscale, & | ^~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘ncoordneighs’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90: In function ‘__xtb_gfnff_eg_MOD_gfnff_eg._omp_fn.10’: ../src/gfnff/gfnff_eg.f90:805:22: warning: ‘atnb’ may be used uninitialized [-Wmaybe-uninitialized] 805 | & .and.nbnbk.gt.1) then | ^ ../src/gfnff/gfnff_eg.f90:175:66: note: ‘atnb’ was declared here 175 | integer i,j,k,l,m,ij,nd3,iTr,iTri,iTrj,iTrk,iTrl,iTrDum,wscAt,atnb,inb,nbb | ^~~~ [285/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_iff_iff_energy.f90.o -c ../src/iff/iff_energy.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/iff_energy.f90:979:59: 979 | real(wp) :: rr, av, sig, displ(6), e, r1(3), r2(3), dr(3), c2(3, n2), c6i | 1~~~~ Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:979:52: 979 | real(wp) :: rr, av, sig, displ(6), e, r1(3), r2(3), dr(3), c2(3, n2), c6i | 1~~~~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:894:34: 894 | real(wp) :: r, r0, r2, rr, av, c6, r6, r8, r42, tmpr | 1~ Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:894:38: 894 | real(wp) :: r, r0, r2, rr, av, c6, r6, r8, r42, tmpr | 1~ Warning: Unused variable ‘c6’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:877:66: 877 | subroutine intermole_probe(n1, nl1, at1, q1, c1, cl1, c2, l1, cn1, c6xx, e, eqp) | 1~~ Warning: Unused dummy argument ‘cn1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:892:21: 892 | integer :: i, j, iat, counter | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:877:62: 877 | subroutine intermole_probe(n1, nl1, at1, q1, c1, cl1, c2, l1, cn1, c6xx, e, eqp) | 1~ Warning: Unused dummy argument ‘l1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:894:22: 894 | real(wp) :: r, r0, r2, rr, av, c6, r6, r8, r42, tmpr | 1~ Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:894:46: 894 | real(wp) :: r, r0, r2, rr, av, c6, r6, r8, r42, tmpr | 1~ Warning: Unused variable ‘r8’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:895:34: 895 | real(wp) :: R06, R08, dc6, t6, t8 | 1~ Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:895:38: 895 | real(wp) :: R06, R08, dc6, t6, t8 | 1~ Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:894:55: 894 | real(wp) :: r, r0, r2, rr, av, c6, r6, r8, r42, tmpr | 1~~~ Warning: Unused variable ‘tmpr’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:732:24: 732 | integer :: i, j, ati, atj | 1~~ Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:732:29: 732 | integer :: i, j, ati, atj | 1~~ Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:729:44: 729 | real(wp) :: r, a(6), u(3, 3), ee(3), jij12, jij21, qq, oner, shift, expo2 | 1~~~~ Warning: Unused variable ‘jij12’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:729:51: 729 | real(wp) :: r, a(6), u(3, 3), ee(3), jij12, jij21, qq, oner, shift, expo2 | 1~~~~ Warning: Unused variable ‘jij21’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:729:62: 729 | real(wp) :: r, a(6), u(3, 3), ee(3), jij12, jij21, qq, oner, shift, expo2 | 1~~~ Warning: Unused variable ‘oner’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:729:58: 729 | real(wp) :: r, a(6), u(3, 3), ee(3), jij12, jij21, qq, oner, shift, expo2 | 1~ Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:731:54: 731 | real(wp) :: q01(n1), q02(n2), dq1, dq2, e, e0, qq0, emo, r0, gfac | 1~~ Warning: Unused variable ‘qq0’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:731:64: 731 | real(wp) :: q01(n1), q02(n2), dq1, dq2, e, e0, qq0, emo, r0, gfac | 1~ Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:730:61: 730 | real(wp) :: coup1, coup2, u0, u12, u21, ex, ex1, ex2, tmp, scal, expo | 1~~ Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:687:24: 687 | real(wp) :: apb, fn, s, e1, e2, c1, c2 | 1~ Warning: Unused variable ‘fn’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:611:19: 611 | real(wp) :: apb, cc, cc1, cc2, apb1, apb2, t, f02, vv, f1, f2 | 1~~ Warning: Unused variable ‘apb’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:611:24: 611 | real(wp) :: apb, cc, cc1, cc2, apb1, apb2, t, f02, vv, f1, f2 | 1~ Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:611:66: 611 | real(wp) :: apb, cc, cc1, cc2, apb1, apb2, t, f02, vv, f1, f2 | 1~ Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:612:19: 612 | real(wp) :: vv1, vv2, v1, v2, abcd, eabcd | 1~~ Warning: Unused variable ‘vv1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:612:24: 612 | real(wp) :: vv1, vv2, v1, v2, abcd, eabcd | 1~~ Warning: Unused variable ‘vv2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:428:55: 428 | &xyz2, q2, xyzdr2, qdr2, at1, at2, alpab, r0, kode,& | 1~~~~ Warning: Unused dummy argument ‘alpab’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:449:19: 449 | real(wp) :: edr1, edr2, edr3 | 1~~~ Warning: Unused variable ‘edr1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:449:25: 449 | real(wp) :: edr1, edr2, edr3 | 1~~~ Warning: Unused variable ‘edr2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:449:31: 449 | real(wp) :: edr1, edr2, edr3 | 1~~~ Warning: Unused variable ‘edr3’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:446:21: 446 | integer :: i, j, k, i1, i2, ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:446:24: 446 | integer :: i, j, k, i1, i2, ij | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:427:29: 427 | subroutine indeg(n1, n2, nl1, nl2, npair, pair, xyz1, q1, xyzdr1, qdr1,& | 1~~ Warning: Unused dummy argument ‘nl1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:427:34: 427 | subroutine indeg(n1, n2, nl1, nl2, npair, pair, xyz1, q1, xyzdr1, qdr1,& | 1~~ Warning: Unused dummy argument ‘nl2’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:447:34: 447 | real(wp) :: rab, rabd, r2, onedr, dum, dum2, oner | 1~~~~ Warning: Unused variable ‘onedr’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:428:62: 428 | &xyz2, q2, xyzdr2, qdr2, at1, at2, alpab, r0, kode,& | 1~ Warning: Unused dummy argument ‘r0’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:385:18: 385 | logical :: echo | 1~~~ Warning: Unused variable ‘echo’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:387:35: 387 | integer :: i, k, ii, j, jj, i0 | 1~ Warning: Unused variable ‘i0’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:387:28: 387 | integer :: i, k, ii, j, jj, i0 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:387:31: 387 | integer :: i, k, ii, j, jj, i0 | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:387:21: 387 | integer :: i, k, ii, j, jj, i0 | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:386:18: 386 | logical :: lp | 1~ Warning: Unused variable ‘lp’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:19: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~ Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:35:41: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1~~~ Warning: Unused dummy argument ‘alp1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:35:47: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1~~~ Warning: Unused dummy argument ‘alp2’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:75:25: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~ Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:31: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~~~~ Warning: Unused variable ‘avmom’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:23: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~ Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:78:19: 78 | real(wp) :: c2(3, n2), cl2(4, 10*n2), dip(3), h, zz1, zz2, nn1, nn2, ees | 1~~~~~~~~ Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:75:28: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~ Warning: Unused variable ‘c6’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:27: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~ Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:78:30: 78 | real(wp) :: c2(3, n2), cl2(4, 10*n2), dip(3), h, zz1, zz2, nn1, nn2, ees | 1~~~~~~~~~~~~ Warning: Unused variable ‘cl2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:35:31: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1~~ Warning: Unused dummy argument ‘cn1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:35:36: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1~~ Warning: Unused dummy argument ‘cn2’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:75:63: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~~~~~ Warning: Unused variable ‘dhrrho’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:75:70: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~~~~ Warning: Unused variable ‘dzpve’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:75:48: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~~~ Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:75:44: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~~ Warning: Unused variable ‘er2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:30: 76 | real(wp) :: R06, rmin, f, dc6, t6, t8, qt1, qt2, tmpr, rrr, p72, nn12 | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:71: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~~~~~~~~ Warning: Unused variable ‘freq’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:48: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~~~ Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:73:58: 73 | real(wp) :: ed,es,ep,esl,ei,eabc,ect,ep2,esph,eadd,gborn,gsolv,dgrrho | 1~~~~ Warning: Unused variable ‘gborn’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:78:53: 78 | real(wp) :: c2(3, n2), cl2(4, 10*n2), dip(3), h, zz1, zz2, nn1, nn2, ees | 1 Warning: Unused variable ‘h’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:42: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~~~ Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:93:31: 93 | integer :: i, j, k, kk, i1, j2, iat, jat, n3, metal(86), counter | 1~ Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:95:31: 95 | logical :: linear, ATM, ijh, ijx | 1~~ Warning: Unused variable ‘ijh’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:95:36: 95 | logical :: linear, ATM, ijh, ijx | 1~~ Warning: Unused variable ‘ijx’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:93:35: 93 | integer :: i, j, k, kk, i1, j2, iat, jat, n3, metal(86), counter | 1~ Warning: Unused variable ‘j2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:95:18: 95 | logical :: linear, ATM, ijh, ijx | 1~~~~~ Warning: Unused variable ‘linear’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:93:49: 93 | integer :: i, j, k, kk, i1, j2, iat, jat, n3, metal(86), counter | 1~ Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:80:67: 80 | real(wp) :: r2ab(n2, n1), r0tmp(n2, n1), r0tmp2(n2, n1), r, oner, sab(n2, n1) | 1~~~ Warning: Unused variable ‘oner’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:96:27: 96 | character(len=4) :: pgroup | 1~~~~~ Warning: Unused variable ‘pgroup’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:46: 76 | real(wp) :: R06, rmin, f, dc6, t6, t8, qt1, qt2, tmpr, rrr, p72, nn12 | 1~~ Warning: Unused variable ‘qt1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:51: 76 | real(wp) :: R06, rmin, f, dc6, t6, t8, qt1, qt2, tmpr, rrr, p72, nn12 | 1~~ Warning: Unused variable ‘qt2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:75:19: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~ Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:19: 76 | real(wp) :: R06, rmin, f, dc6, t6, t8, qt1, qt2, tmpr, rrr, p72, nn12 | 1~~ Warning: Unused variable ‘r06’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:75:22: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~ Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:77:65: 77 | real(wp) :: d2(3), t1, t2, t3, c9, ang, damp, tmp1, tmp2, sum1, sum2 | 1~~~ Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:77:71: 77 | real(wp) :: d2(3), t1, t2, t3, c9, ang, damp, tmp1, tmp2, sum1, sum2 | 1~~~ Warning: Unused variable ‘sum2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:65: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~~~ Warning: Unused variable ‘symn’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:75:53: 75 | real(wp) :: r0,rr,av,c6,r2,r6,r8,r42,er2,edum,symnum,qq,dhrrho,dzpve | 1~~~~~ Warning: Unused variable ‘symnum’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:38: 76 | real(wp) :: R06, rmin, f, dc6, t6, t8, qt1, qt2, tmpr, rrr, p72, nn12 | 1~ Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:42: 76 | real(wp) :: R06, rmin, f, dc6, t6, t8, qt1, qt2, tmpr, rrr, p72, nn12 | 1~ Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:77:53: 77 | real(wp) :: d2(3), t1, t2, t3, c9, ang, damp, tmp1, tmp2, sum1, sum2 | 1~~~ Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:56: 76 | real(wp) :: R06, rmin, f, dc6, t6, t8, qt1, qt2, tmpr, rrr, p72, nn12 | 1~~~ Warning: Unused variable ‘tmpr’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:54: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~~~~ Warning: Unused variable ‘ts298’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:38: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~ Warning: Unused variable ‘wt’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:86:61: 86 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn, freq(3*n) | 1~ Warning: Unused variable ‘zp’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90: In function ‘__xtb_iff_iffenergy_MOD_intermole_probe’: ../src/iff/iff_energy.f90:890:31: warning: ‘rab_solu_solv.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 890 | real(wp),allocatable :: rab_solu_solv(:) | ^~~~~~~~~~~~~~~~ ../src/iff/iff_energy.f90: In function ‘__xtb_iff_iffenergy_MOD_iff_e’: ../src/iff/iff_energy.f90:157:63: warning: ‘rab_solu_solv.offset’ may be used uninitialized [-Wmaybe-uninitialized] 157 | rab_solu_solv (counter,j) = sqrt(r2)*autoang | ^ ../src/iff/iff_energy.f90:83:31: note: ‘rab_solu_solv.offset’ was declared here 83 | real(wp),allocatable :: rab_solu_solv(:,:) | ^~~~~~~~~~~~~~~~~~ ../src/iff/iff_energy.f90:157:63: warning: ‘rab_solu_solv.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 157 | rab_solu_solv (counter,j) = sqrt(r2)*autoang | ^ ../src/iff/iff_energy.f90:83:31: note: ‘rab_solu_solv.dim[0].ubound’ was declared here 83 | real(wp),allocatable :: rab_solu_solv(:,:) | ^~~~~~~~~~~~~~~~~~ ../src/iff/iff_energy.f90:341:40: warning: ‘rab_solu_solv.dim[1].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 341 | & + (directedset%val(1)/2)) | ^ ../src/iff/iff_energy.f90:83:31: note: ‘rab_solu_solv.dim[1].ubound’ was declared here 83 | real(wp),allocatable :: rab_solu_solv(:,:) | ^~~~~~~~~~~~~~~~~~ [286/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_extern_driver.f90.o -c ../src/extern/driver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/driver.f90:271:21: 271 | subroutine checkExe(env,name,prog) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:255:34: 255 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:75:40: 75 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:115:15: 115 | integer :: mode_sp_run = 1 | 1~~~~~~~~~~ Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/driver.f90:75:57: 75 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:59:38: 59 | 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.f90:161:71: warning: ‘.extension’ may be used uninitialized [-Wmaybe-uninitialized] 161 | call generateFileName(tmpname, 'xtbdriver', extension, mol%ftype) | ^ ../src/extern/driver.f90:268:24: note: ‘.extension’ was declared here 268 | end subroutine writeInfo | ^ [287/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_constrain_param.f90.o -c ../src/constrain_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constrain_param.f90:1569:16: 1569 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1567:16: 1567 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1568:16: 1568 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1570:16: 1570 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1523:39: 1523 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1535:16: 1535 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1538:16: 1538 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1523:42: 1523 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1~~~~ Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1538:18: 1538 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1536:16: 1536 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1537:16: 1537 | integer :: list(nat),nlist | 1~~~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1537:26: 1537 | integer :: list(nat),nlist | 1~~~~ Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1523:48: 1523 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1426:16: 1426 | integer :: nlist | 1~~~~ Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1408:49: 1408 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1361:37: 1361 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1377:16: 1377 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1381:16: 1381 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1361:40: 1361 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1~~~~ Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1381:18: 1381 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1378:16: 1378 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1379:16: 1379 | integer :: nlist | 1~~~~ Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1361:46: 1361 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1314:40: 1314 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1330:16: 1330 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1334:16: 1334 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1314:43: 1314 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1~~~~ Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1334:18: 1334 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1331:16: 1331 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1332:16: 1332 | integer :: nlist | 1~~~~ Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1314:49: 1314 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1243:16: 1243 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1245:28: 1245 | integer, allocatable :: list(:) | 1~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1229:46: 1229 | subroutine set_hess(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1151:38: 1151 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1164:16: 1164 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1151:41: 1151 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1~~~~ Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1165:16: 1165 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1151:47: 1151 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:963:21: 963 | real(wp) :: ddum,darray(3),min_z,max_z | 1~~~~~~~~ Warning: Unused variable ‘darray’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:949:40: 949 | subroutine set_wall(env,key,val,nat,at,idMap,xyz) | 1~~~~ Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:964:16: 964 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:860:16: 860 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:408:16: 408 | integer :: nlist | 1~~~~ Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:293:16: 293 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:288:16: 288 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:291:16: 291 | integer :: nlist | 1~~~~ Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:272:45: 272 | subroutine set_fix(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:125:15: 125 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:120:15: 120 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:122:15: 122 | integer :: ic | 1~ Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:123:15: 123 | integer :: ie | 1~ Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:116:36: 116 | character(len=:),allocatable :: key | 1~~ Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:118:36: 118 | character(len=:),allocatable :: newname | 1~~~~~~ Warning: Unused variable ‘newname’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:117:36: 117 | character(len=:),allocatable :: val | 1~~ Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] [288/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_extern_orca.f90.o -c ../src/extern/orca.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/orca.f90:741:34: 741 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:670:37: 670 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~ Warning: Unused dummy argument ‘chk0’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:691:17: 691 | integer :: i,j,err | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:694:36: 694 | character(len=:),allocatable :: line | 1~~~ Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:670:43: 670 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~ Warning: Unused dummy argument ‘list’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:670:70: 670 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~~~~ Warning: Unused dummy argument ‘polgrad’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:670:49: 670 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~ Warning: Unused dummy argument ‘step’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:561:40: 561 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:600:17: 600 | integer :: i,ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:604:15: 604 | logical :: inmol | 1~~~~ Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:601:15: 601 | integer :: mode_sp_run = 1 | 1~~~~~~~~~~ Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:561:57: 561 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:465:17: 465 | integer :: i,j,err, err2 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:469:36: 469 | character(len=:),allocatable :: line | 1~~~ Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:319:18: 319 | function get_mem(env,nThread) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:275:29: 275 | integer :: i, nel, mult, etc | 1~~ Warning: Unused variable ‘etc’ declared at (1) [-Wunused-variable] [289/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_timing.f90.o -c ../src/timing.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [290/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_peeq_module.f90.o -c ../src/peeq_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/peeq_module.f90:1516:26: 1516 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1~ Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1520:50: 1520 | 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.f90:1520:24: 1520 | 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.f90:1519:13: 1519 | 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.f90:1516:18: 1516 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1517:13: 1517 | 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.f90:1517:16: 1517 | 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.f90:1521:52: 1521 | 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.f90:1522:69: 1522 | 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.f90:1522:26: 1522 | 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.f90:1521:37: 1521 | 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.f90:1521:40: 1521 | 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.f90:1521:34: 1521 | 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.f90:1521:43: 1521 | 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.f90:1521:18: 1521 | 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.f90:1521:55: 1521 | 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.f90:1521:28: 1521 | 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.f90:1521:20: 1521 | 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.f90:1521:46: 1521 | 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.f90:1521:49: 1521 | 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.f90:1521:31: 1521 | 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.f90:1475:19: 1475 | & 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.f90:1518:45: 1518 | 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.f90:1519:46: 1519 | 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.f90:1520:37: 1520 | 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.f90:1519:18: 1519 | 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.f90:1515:17: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:20: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1519:32: 1519 | 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.f90:1519:39: 1519 | 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.f90:1518:18: 1518 | 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.f90:1518:27: 1518 | 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.f90:1518:36: 1518 | 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.f90:1519:23: 1519 | 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.f90:1514:55: 1514 | 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.f90:1514:50: 1514 | 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.f90:1514:45: 1514 | 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.f90:1515:13: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~~ Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1520:14: 1520 | 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.f90:1514:28: 1514 | 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.f90:1514:33: 1514 | 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.f90:1514:39: 1514 | 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.f90:1515:26: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:29: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:32: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:35: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1516:13: 1516 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1~~~ Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1514:13: 1514 | 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.f90:1514:18: 1514 | 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.f90:1514:23: 1514 | 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.f90:1515:23: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1535:16: 1535 | integer :: tx,ty,tz | 1~ Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1535:19: 1535 | integer :: tx,ty,tz | 1~ Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1535:22: 1535 | integer :: tx,ty,tz | 1~ Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1282:26: 1282 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1~ Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1286:50: 1286 | 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.f90:1286:24: 1286 | 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.f90:1285:13: 1285 | 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.f90:1282:18: 1282 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1283:13: 1283 | 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.f90:1283:16: 1283 | 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.f90:1287:52: 1287 | 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.f90:1288:69: 1288 | 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.f90:1287:37: 1287 | 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.f90:1287:40: 1287 | 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.f90:1287:34: 1287 | 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.f90:1287:43: 1287 | 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.f90:1287:18: 1287 | 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.f90:1287:55: 1287 | 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.f90:1287:28: 1287 | 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.f90:1287:20: 1287 | 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.f90:1287:46: 1287 | 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.f90:1287:49: 1287 | 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.f90:1287:31: 1287 | 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.f90:1240:19: 1240 | & 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.f90:1284:45: 1284 | 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.f90:1285:46: 1285 | 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.f90:1286:37: 1286 | 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.f90:1285:18: 1285 | 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.f90:1281:17: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:20: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1285:32: 1285 | 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.f90:1285:39: 1285 | 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.f90:1284:18: 1284 | 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.f90:1284:27: 1284 | 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.f90:1284:36: 1284 | 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.f90:1285:23: 1285 | 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.f90:1280:55: 1280 | 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.f90:1280:50: 1280 | 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.f90:1280:45: 1280 | 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.f90:1281:13: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~~ Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1286:14: 1286 | 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.f90:1280:28: 1280 | 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.f90:1280:33: 1280 | 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.f90:1280:39: 1280 | 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.f90:1281:26: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:29: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:32: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:35: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1282:13: 1282 | real(wp) thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1~~~ Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1280:13: 1280 | 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.f90:1280:18: 1280 | 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.f90:1280:23: 1280 | 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.f90:1281:23: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1~ Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:46: 1076 | 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.f90:1086:37: 1086 | 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.f90:1086:13: 1086 | 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.f90:1075:13: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:16: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:19: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:38: 1076 | 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.f90:1084:26: 1084 | real(wp) ri(3),rj(3),f1,f2 | 1~ Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1084:29: 1084 | real(wp) ri(3),rj(3),f1,f2 | 1~ Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1092:12: 1092 | integer kat | 1~~ Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1073:37: 1073 | 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.f90:1073:40: 1073 | 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.f90:1073:34: 1073 | 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.f90:1073:43: 1073 | 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.f90:1073:18: 1073 | 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.f90:1073:28: 1073 | 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.f90:1073:20: 1073 | 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.f90:1073:46: 1073 | 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.f90:1073:49: 1073 | 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.f90:1073:31: 1073 | 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.f90:1043:69: 1043 | 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.f90:1086:47: 1086 | 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.f90:1086:21: 1086 | 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.f90:1076:17: 1076 | 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.f90:1076:20: 1076 | 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.f90:1075:32: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~ Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:27: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:22: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:13: 1076 | 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.f90:1087:13: 1087 | real(wp) sstmp(6,6) !TESTST | 1~~~~~~~~~ Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:33: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:38: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~~ Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:26: 1076 | 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.f90:1076:29: 1076 | 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.f90:1076:32: 1076 | 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.f90:1076:35: 1076 | 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.f90:1074:13: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:18: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:23: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:28: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:23: 1076 | 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.f90:884:46: 884 | 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.f90:894:37: 894 | 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.f90:894:13: 894 | 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.f90:883:13: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:16: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:19: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~ Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:884:38: 884 | 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.f90:892:31: 892 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1~ Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:892:34: 892 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1~ Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:881:37: 881 | 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.f90:881:40: 881 | 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.f90:881:34: 881 | 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.f90:881:43: 881 | 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.f90:881:18: 881 | 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.f90:881:28: 881 | 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.f90:881:20: 881 | 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.f90:881:46: 881 | 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.f90:881:49: 881 | 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.f90:881:31: 881 | 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.f90:849:69: 849 | 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.f90:894:47: 894 | 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.f90:894:21: 894 | 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.f90:884:17: 884 | 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.f90:884:20: 884 | 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.f90:883:32: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~ Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:27: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:22: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1~~~ Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:884:13: 884 | 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.f90:895:13: 895 | real(wp) sstmp(6,6) !TESTST | 1~~~~~~~~~ Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:33: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:38: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~~ Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:884:26: 884 | 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.f90:884:29: 884 | 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.f90:884:32: 884 | 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.f90:884:35: 884 | 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.f90:882:13: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:18: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:23: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:28: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1~~~ Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:884:23: 884 | 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.f90:733:17: 733 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:733:19: 733 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:740:19: 740 | real(wp) :: r2,r,dr,rab | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:740:16: 740 | real(wp) :: r2,r,dr,rab | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:733:21: 733 | integer :: i,j,k,wsAt | 1~~~ Warning: Unused variable ‘wsat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:664:22: 664 | real(wp) :: ri(3),dr(3) | 1~~~~ Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:663:15: 663 | integer :: iat,jat,ati,atj | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:663:19: 663 | integer :: iat,jat,ati,atj | 1~~ Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:662:19: 662 | integer :: i,j,k,lin | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:662:21: 662 | integer :: i,j,k,lin | 1~~ Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:664:16: 664 | real(wp) :: ri(3),dr(3) | 1~~~~ Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:674:26: 674 | integer :: latrep(3),tx,ty,tz,itr | 1~ Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:674:29: 674 | integer :: latrep(3),tx,ty,tz,itr | 1~ Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:674:32: 674 | integer :: latrep(3),tx,ty,tz,itr | 1~ Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:130:41: 130 | 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.f90:198:49: 198 | real(wp),allocatable,dimension(:) :: aux | 1~~ Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:165:16: 165 | real(wp) :: den2 | 1~~~ Warning: Unused variable ‘den2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:166:16: 166 | real(wp) :: den4 | 1~~~ Warning: Unused variable ‘den4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:160:48: 160 | real(wp) , allocatable, dimension(:,:,:) :: dlcn | 1~~~ Warning: Unused variable ‘dlcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:138:16: 138 | real(wp) :: dum | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:195:49: 195 | real(wp),allocatable,dimension(:) :: ev_s | 1~~~ Warning: Unused variable ‘ev_s’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:140:15: 140 | logical :: ex | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:158:48: 158 | real(wp) , allocatable, dimension(:,:,:) :: grab0 | 1~~~~ Warning: Unused variable ‘grab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:48:55: 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.f90:161:48: 161 | real(wp), dimension(2) :: hbpi | 1~~~ Warning: Unused variable ‘hbpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:162:48: 162 | real(wp), dimension(2) :: hbpj | 1~~~ Warning: Unused variable ‘hbpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:171:16: 171 | integer :: ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:131:15: 131 | integer :: il,jl | 1~ Warning: Unused variable ‘il’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:196:49: 196 | integer :: info | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:130:18: 130 | 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.f90:131:18: 131 | integer :: il,jl | 1~ Warning: Unused variable ‘jl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:167:16: 167 | real(wp) :: ken2 | 1~~~ Warning: Unused variable ‘ken2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:168:16: 168 | real(wp) :: ken4 | 1~~~ Warning: Unused variable ‘ken4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:130:45: 130 | 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.f90:159:48: 159 | real(wp) , allocatable, dimension(:) :: lcn | 1~~ Warning: Unused variable ‘lcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:197:49: 197 | integer :: lwork | 1~~~~ Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:130:27: 130 | 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.f90:170:16: 170 | integer :: nh | 1~ Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:169:16: 169 | integer :: nhb | 1~~ Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:157:48: 157 | real(wp) , allocatable, dimension(:) :: rab0 | 1~~~ Warning: Unused variable ‘rab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:121:15: 121 | integer :: rep_cn(3) | 1~~~~~~~~ Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:194:49: 194 | real(wp),allocatable,dimension(:,:) :: Stmp | 1~~~ Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:199:16: 199 | real(wp) :: test(1) | 1~~~~~~ Warning: Unused variable ‘test’ declared at (1) [-Wunused-variable] [291/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_topology.f90.o -c ../src/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/topology.f90:137:15: 137 | integer :: iat, neigh | 1~~ Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] [292/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_vertical.f90.o -c ../src/vertical.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [293/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_scf_module.F90.o -c ../src/scf_module.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/scf_module.F90:65:26: 65 | integer, parameter :: metal(1:86) = [& | 1~~~~~~~~~~ Warning: Unused PRIVATE module variable ‘metal’ declared at (1) [-Wunused-value] ../src/scf_module.F90:185:33: 185 | 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.F90:205:26: 205 | character(len=128) :: atmp,ftmp | 1~~~ Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:167:28: 167 | real(wp),allocatable :: aw(:,:) | 1~~~~~~ Warning: Unused variable ‘aw’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:168:28: 168 | real(wp),allocatable :: c6ab(:,:) | 1~~~~~~~~ Warning: Unused variable ‘c6ab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:122:20: 122 | type(TCosmo) :: cosmo | 1~~~~ Warning: Unused variable ‘cosmo’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:39: 188 | 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.F90:188:34: 188 | 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.F90:185:42: 185 | 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.F90:185:45: 185 | 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.F90:185:48: 185 | 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.F90:186:16: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1~~ Warning: Unused variable ‘efa’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:20: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1~~ Warning: Unused variable ‘efb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:45: 183 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1~~~ Warning: Unused variable ‘efix’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:21: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1~~ Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:46: 187 | 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.F90:184:29: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1~~~ Warning: Unused variable ‘eold’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:192:16: 192 | real(wp) :: esave,eel | 1~~~~ Warning: Unused variable ‘esave’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:206:15: 206 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:191:41: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1~~ Warning: Unused variable ‘exc’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:52: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1~ Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:205:31: 205 | character(len=128) :: atmp,ftmp | 1~~~ Warning: Unused variable ‘ftmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:206:27: 206 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1~~~~~~~ Warning: Unused variable ‘fulldiag’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:22: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1~ Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:25: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1~ Warning: Unused variable ‘gj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:75:46: 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.F90:191:33: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1~~~~~~ Warning: Unused variable ‘gtmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:50: 187 | 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.F90:188:16: 188 | 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.F90:185:29: 185 | 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.F90:186:36: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1~~~ Warning: Unused variable ‘hdii’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:41: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1~~~ Warning: Unused variable ‘hdjj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:39: 183 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1~~~~ Warning: Unused variable ‘hlgap’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:54: 187 | 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.F90:202:18: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1~ Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:202:21: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1~ Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:32: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1~ Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:206:45: 206 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1~~~~~ Warning: Unused variable ‘iniqsh’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:44: 189 | 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.F90:203:18: 203 | integer :: is,js,gav | 1~ Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:22: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1~~~~~ Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:50: 189 | 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.F90:193:35: 193 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1~~~~ Warning: Unused variable ‘kexpe’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:25: 200 | 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.F90:200:56: 200 | 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.F90:201:41: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:202:15: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1~ Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:44: 200 | 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.F90:200:60: 200 | 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.F90:200:63: 200 | 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.F90:166:16: 166 | real(wp) :: molc6,molc8,molpol | 1~~~~ Warning: Unused variable ‘molc6’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:166:22: 166 | real(wp) :: molc6,molc8,molpol | 1~~~~ Warning: Unused variable ‘molc8’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:35: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1~~~~ Warning: Unused variable ‘ndimv’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:24: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1~~~~ Warning: Unused variable ‘nfoda’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:30: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1~~~~ Warning: Unused variable ‘nfodb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:202:24: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1~ Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:29: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1~ Warning: Unused variable ‘np’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:15: 200 | 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.F90:185:56: 185 | 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.F90:185:60: 185 | 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.F90:184:41: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1~ Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:25: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1~~ Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:59: 187 | 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.F90:188:57: 188 | 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.F90:189:38: 189 | 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.F90:185:26: 185 | 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.F90:169:28: 169 | real(wp),allocatable :: rvol(:) | 1~~~~~~ Warning: Unused variable ‘rvol’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:128:28: 128 | real(wp),allocatable :: S12(:,:) | 1~~~~~~~ Warning: Unused variable ‘s12’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:16: 185 | 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.F90:185:19: 185 | 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.F90:193:21: 193 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1~ Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:193:24: 193 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1~ Warning: Unused variable ‘t7’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:61: 188 | 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.F90:188:53: 188 | 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.F90:189:58: 189 | 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.F90:191:16: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1~ Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:191:19: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1~ Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:16: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1~ Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:16: 187 | 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.F90:187:19: 187 | 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.F90:189:20: 189 | 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.F90:189:23: 189 | 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.F90:140:28: 140 | real(wp),allocatable :: Xcao(:,:) | 1~~~~~~~~ Warning: Unused variable ‘xcao’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:19: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1~ Warning: Unused variable ‘xj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:16: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1~~~ Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:38: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1~ Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:26: 189 | 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.F90:189:29: 189 | 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.F90:188:50: 188 | 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.F90:189:32: 189 | 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.F90:189:35: 189 | 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.F90:936:0: 936 | pure elemental function early3d(i) result(bool) Warning: ‘early3d’ defined but not used [-Wunused-function] [294/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_wrbas.f90.o -c ../src/wrbas.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrbas.f90:18:54: 18 | subroutine write_tm_basis(iunit,xtbData,nat,at,basis,wfn) | 1~~ Warning: Unused dummy argument ‘wfn’ at (1) [-Wunused-dummy-argument] [295/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_wrgbw.f90.o -c ../src/wrgbw.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrgbw.f90:82:50: 82 | integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount | 1~~~~~ Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] [296/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_set_module.f90.o -c ../src/set_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/set_module.f90:2636:16: 2636 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2634:16: 2634 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2635:16: 2635 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2637:16: 2637 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2617:22: 2617 | subroutine set_split(env,key,val) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2617:26: 2617 | subroutine set_split(env,key,val) | 1~~ Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2617:30: 2617 | subroutine set_split(env,key,val) | 1~~ Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2606:22: 2606 | subroutine set_natom(env,arg) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2611:15: 2611 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2542:16: 2542 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2545:16: 2545 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2518:16: 2518 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2516:16: 2516 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2517:16: 2517 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2519:16: 2519 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2456:16: 2456 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2468:20: 2468 | logical,save :: set8 = .true. | 1~~~ Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2408:59: 2408 | character(len=p_str_length),dimension(p_arg_length) :: argv | 1~~~ Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2401:16: 2401 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2406:16: 2406 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2407:16: 2407 | integer :: narg | 1~~~ Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2360:16: 2360 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2361:16: 2361 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2338:16: 2338 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2339:16: 2339 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2341:16: 2341 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2289:16: 2289 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2287:16: 2287 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2288:16: 2288 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2290:16: 2290 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2260:16: 2260 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2263:16: 2263 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2224:16: 2224 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2225:16: 2225 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2227:16: 2227 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2191:16: 2191 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2192:16: 2192 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2194:16: 2194 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2197:20: 2197 | logical,save :: set3 = .true. | 1~~~ Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2147:16: 2147 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2150:16: 2150 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2063:16: 2063 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2029:16: 2029 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2032:16: 2032 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2001:16: 2001 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2002:16: 2002 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2004:16: 2004 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1948:16: 1948 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1845:16: 1845 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1790:16: 1790 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1793:16: 1793 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1607:16: 1607 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1559:16: 1559 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1562:16: 1562 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1457:16: 1457 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1388:16: 1388 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1386:16: 1386 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1245:16: 1245 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1243:16: 1243 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1244:16: 1244 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1221:16: 1221 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1202:16: 1202 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1157:16: 1157 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:737:15: 737 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:730:15: 730 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:732:15: 732 | integer :: ic | 1~ Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/set_module.f90:733:15: 733 | integer :: ie | 1~ Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/set_module.f90:727:36: 727 | character(len=:),allocatable :: key | 1~~ Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/set_module.f90:728:36: 728 | character(len=:),allocatable :: val | 1~~ Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/set_module.f90:690:15: 690 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:572:15: 572 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:462:15: 462 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:437:15: 437 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [297/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_wrmodef.f90.o -c ../src/wrmodef.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrmodef.f90:37:36: 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.f90:37:39: 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.f90:18:35: 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] [298/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_docking_set_module.f90.o -c ../src/docking/set_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/docking/set_module.f90:331:19: 331 | real(wp) :: ddum | 1~~~ Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:329:19: 329 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:330:19: 330 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:332:19: 332 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:242:19: 242 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:245:19: 245 | integer :: nlist | 1~~~~ Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:230:53: 230 | subroutine set_directed(env,key,val,nat,at,idMap,xyz) | 1~~ Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/docking/set_module.f90:218:18: 218 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:171:19: 171 | integer :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:174:19: 174 | logical :: ldum | 1~~~ Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] [299/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_rdcoord2.f90.o -c ../src/rdcoord2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rdcoord2.f90:286:16: 286 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/rdcoord2.f90:281:36: 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] [300/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_wrmo.f90.o -c ../src/wrmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrmo.f90:18:33: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1~ Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/wrmo.f90:18:36: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1~~~~ Warning: Unused dummy argument ‘basis’ at (1) [-Wunused-dummy-argument] [301/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_iff_iff_lmo.f90.o -c ../src/iff/iff_lmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/iff_lmo.f90:560:32: 560 | real(wp) :: ZERO, SINTH, COTH, ANORM, BNORM, COSTH | 1~~~ Warning: Unused variable ‘coth’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:504:49: 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | 1~~ Warning: Unused variable ‘zi2’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:504:54: 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | 1~~ Warning: Unused variable ‘zj2’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:504:59: 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | 1~~ Warning: Unused variable ‘zl2’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:77:52: 77 | subroutine setlmo(mol, n, nl, at, xyz, alp0, q, cn, c, lmo) | 1~ Warning: Unused dummy argument ‘cn’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_lmo.f90:89:67: 89 | real(wp) :: ex, ey, ez, rmin, f, norm(n), lpcharge, dip(3), cnfac, di, ff, rr1 | 1~~~~ Warning: Unused variable ‘cnfac’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:90:19: 90 | real(wp) :: d2,alp,p6pi,p6sig,r1,r2,qq,dex,c1,c2,ex1,ey1,ez1,rr,rr2 | 1~ Warning: Unused variable ‘d2’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:90:46: 90 | real(wp) :: d2,alp,p6pi,p6sig,r1,r2,qq,dex,c1,c2,ex1,ey1,ez1,rr,rr2 | 1~~ Warning: Unused variable ‘dex’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:88:33: 88 | integer :: i, j, ii, ia1, imin, ind(n), ltmp(10*n), nlp, npi, nsig, ia2, ia3 | 1~~~ Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:89:49: 89 | real(wp) :: ex, ey, ez, rmin, f, norm(n), lpcharge, dip(3), cnfac, di, ff, rr1 | 1~~~~~~~ Warning: Unused variable ‘lpcharge’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:90:26: 90 | real(wp) :: d2,alp,p6pi,p6sig,r1,r2,qq,dex,c1,c2,ex1,ey1,ez1,rr,rr2 | 1~~~ Warning: Unused variable ‘p6pi’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:90:31: 90 | real(wp) :: d2,alp,p6pi,p6sig,r1,r2,qq,dex,c1,c2,ex1,ey1,ez1,rr,rr2 | 1~~~~ Warning: Unused variable ‘p6sig’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:31:4: 31 | subroutine trflmo(mol, n, nl, c, cl) | ^~~~~~~~~~~~~~~~~ Warning: ‘trflmo’ defined but not used [-Wunused-function] In function ‘__xtb_iff_ifflmo_MOD_xdihed’, inlined from ‘__xtb_iff_ifflmo_MOD_internal4’ at ../src/iff/iff_lmo.f90:374:46: ../src/iff/iff_lmo.f90:527:34: warning: ‘yxdist’ may be used uninitialized [-Wmaybe-uninitialized] 527 | IF (YXDIST .LE. 1.0D-9 .AND. DDD .GT. 0.0) then | ^ ../src/iff/iff_lmo.f90: In function ‘__xtb_iff_ifflmo_MOD_internal4’: ../src/iff/iff_lmo.f90:506:36: note: ‘yxdist’ was declared here 506 | real(wp) :: DIST, COSA, DDD, YXDIST, COSTH, SINTH, COSPH, SINPH | ^~~~~~ In function ‘__xtb_iff_ifflmo_MOD_xdihed’, inlined from ‘__xtb_iff_ifflmo_MOD_internal4’ at ../src/iff/iff_lmo.f90:374:46: ../src/iff/iff_lmo.f90:549:33: warning: ‘costh’ may be used uninitialized [-Wmaybe-uninitialized] 549 | YL3 = YL2*COSTH - ZL1*SINTH | ^ ../src/iff/iff_lmo.f90: In function ‘__xtb_iff_ifflmo_MOD_internal4’: ../src/iff/iff_lmo.f90:506:44: note: ‘costh’ was declared here 506 | real(wp) :: DIST, COSA, DDD, YXDIST, COSTH, SINTH, COSPH, SINPH | ^~~~~ In function ‘__xtb_iff_ifflmo_MOD_xdihed’, inlined from ‘__xtb_iff_ifflmo_MOD_internal4’ at ../src/iff/iff_lmo.f90:374:46: ../src/iff/iff_lmo.f90:548:33: warning: ‘yi2’ may be used uninitialized [-Wmaybe-uninitialized] 548 | YI3 = YI2*COSTH - ZI1*SINTH | ^ ../src/iff/iff_lmo.f90: In function ‘__xtb_iff_ifflmo_MOD_internal4’: ../src/iff/iff_lmo.f90:504:34: note: ‘yi2’ was declared here 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | ^~~ In function ‘__xtb_iff_ifflmo_MOD_xdihed’, inlined from ‘__xtb_iff_ifflmo_MOD_internal4’ at ../src/iff/iff_lmo.f90:374:46: ../src/iff/iff_lmo.f90:549:33: warning: ‘yl2’ may be used uninitialized [-Wmaybe-uninitialized] 549 | YL3 = YL2*COSTH - ZL1*SINTH | ^ ../src/iff/iff_lmo.f90: In function ‘__xtb_iff_ifflmo_MOD_internal4’: ../src/iff/iff_lmo.f90:504:44: note: ‘yl2’ was declared here 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | ^~~ In function ‘__xtb_iff_ifflmo_MOD_xdang’, inlined from ‘__xtb_iff_ifflmo_MOD_xdihed’ at ../src/iff/iff_lmo.f90:498:4, inlined from ‘__xtb_iff_ifflmo_MOD_internal4’ at ../src/iff/iff_lmo.f90:374:46: ../src/iff/iff_lmo.f90:567:33: warning: ‘xi2’ may be used uninitialized [-Wmaybe-uninitialized] 567 | IF (ABS(B1) .LT. ZERO .AND. ABS(B2) .LT. ZERO) then | ^ ../src/iff/iff_lmo.f90: In function ‘__xtb_iff_ifflmo_MOD_internal4’: ../src/iff/iff_lmo.f90:504:19: note: ‘xi2’ was declared here 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | ^~~ In function ‘__xtb_iff_ifflmo_MOD_xdang’, inlined from ‘__xtb_iff_ifflmo_MOD_xdihed’ at ../src/iff/iff_lmo.f90:498:4, inlined from ‘__xtb_iff_ifflmo_MOD_internal4’ at ../src/iff/iff_lmo.f90:374:46: ../src/iff/iff_lmo.f90:563:33: warning: ‘xl2’ may be used uninitialized [-Wmaybe-uninitialized] 563 | IF (ABS(A1) .LT. ZERO .AND. ABS(A2) .LT. ZERO) then | ^ ../src/iff/iff_lmo.f90: In function ‘__xtb_iff_ifflmo_MOD_internal4’: ../src/iff/iff_lmo.f90:504:29: note: ‘xl2’ was declared here 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | ^~~ [302/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xhelp.f90.o -c ../src/xhelp.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [303/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_xtb_calculator.f90.o -c ../src/xtb/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/calculator.f90:389:41: 389 | subroutine print_gfn2_results(iunit,res,verbose,lsolv) | 1~~~~~~ Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:370:41: 370 | subroutine print_gfn1_results(iunit,res,verbose,lsolv) | 1~~~~~~ Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:353:49: 353 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1~~~~ Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:353:41: 353 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1~~~~~~ Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:239:15: 239 | logical :: inmol | 1~~~~ Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/xtb/calculator.f90:237:15: 237 | integer :: mode_sp_run = 1 | 1~~~~~~~~~~ Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] [304/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_zmatpr.f90.o -c ../src/zmatpr.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/zmatpr.f90:29:16: 29 | logical :: ex | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] [305/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/symmetry_symmetry.f90.o -c ../symmetry/symmetry.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [306/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_api_environment.f90.o -c ../src/api/environment.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/environment.f90:191:35: 191 | 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.f90:102:33: warning: ‘status’ may be used uninitialized [-Wmaybe-uninitialized] 102 | end function checkEnvironment_api | ^ ../src/api/environment.f90:82:50: note: ‘status’ was declared here 82 | function checkEnvironment_api(venv) result(status) & | ^ [307/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_main_property.F90.o -c ../src/main/property.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/main/property.F90:1412:32: 1412 | real(wp) :: beta, xxmom, e, ewj, mu, RT, sthr, avmom | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1412:25: 1412 | real(wp) :: beta, xxmom, e, ewj, mu, RT, sthr, avmom | 1~~~~ Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1216:29: 1216 | logical linear, atom, da | 1~ Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1202:35: 1202 | real(wp) :: omega, maxfreq, fswitch, lnq_r, lnq_v | 1~~~~~~ Warning: Unused variable ‘fswitch’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1202:44: 1202 | real(wp) :: omega, maxfreq, fswitch, lnq_r, lnq_v | 1~~~~ Warning: Unused variable ‘lnq_r’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1202:51: 1202 | real(wp) :: omega, maxfreq, fswitch, lnq_r, lnq_v | 1~~~~ Warning: Unused variable ‘lnq_v’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1202:26: 1202 | real(wp) :: omega, maxfreq, fswitch, lnq_r, lnq_v | 1~~~~~~ Warning: Unused variable ‘maxfreq’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1204:34: 1204 | integer nn, nvib, i, j, k, n, nvib_theo, isthr | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1204:15: 1204 | integer nn, nvib, i, j, k, n, nvib_theo, isthr | 1~ Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1202:19: 1202 | real(wp) :: omega, maxfreq, fswitch, lnq_r, lnq_v | 1~~~~ Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1199:16: 1199 | real(wp) xx(10), sthr, temp, scale_factor | 1~~~~~ Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1121:53: 1121 | 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.F90:1085:47: 1085 | 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.F90:1042:38: 1042 | 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.F90:899:21: 899 | integer :: i, j, k, nfrag | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.F90:899:24: 899 | integer :: i, j, k, nfrag | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.F90:900:19: 900 | real(wp) :: xsum | 1~~~ Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/main/property.F90:644:31: 644 | real(wp) :: etot, h298, dum | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/main/property.F90:644:19: 644 | real(wp) :: etot, h298, dum | 1~~~ Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] ../src/main/property.F90:644:25: 644 | real(wp) :: etot, h298, dum | 1~~~ Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/main/property.F90:638:40: 638 | character(len=:), allocatable :: hname | 1~~~~ Warning: Unused variable ‘hname’ declared at (1) [-Wunused-variable] ../src/main/property.F90:637:21: 637 | integer :: i, ii, j, jj, k, l | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/main/property.F90:637:25: 637 | integer :: i, ii, j, jj, k, l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.F90:637:28: 637 | integer :: i, ii, j, jj, k, l | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/main/property.F90:637:32: 637 | integer :: i, ii, j, jj, k, l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.F90:637:35: 637 | integer :: i, ii, j, jj, k, l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/main/property.F90:645:18: 645 | integer :: lowmode | 1~~~~~~ Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/main/property.F90:512:19: 512 | real(wp) :: acc, intcut, neglect | 1~~ Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/main/property.F90:511:19: 511 | real(wp) :: dip, dipol(3) | 1~~ Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/main/property.F90:511:24: 511 | real(wp) :: dip, dipol(3) | 1~~~~~~~ Warning: Unused variable ‘dipol’ declared at (1) [-Wunused-variable] ../src/main/property.F90:512:24: 512 | real(wp) :: acc, intcut, neglect | 1~~~~~ Warning: Unused variable ‘intcut’ declared at (1) [-Wunused-variable] ../src/main/property.F90:510:18: 510 | integer :: ndim, ndp, nqp | 1~~~ Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable] ../src/main/property.F90:510:24: 510 | integer :: ndim, ndp, nqp | 1~~ Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:512:32: 512 | real(wp) :: acc, intcut, neglect | 1~~~~~~ Warning: Unused variable ‘neglect’ declared at (1) [-Wunused-variable] ../src/main/property.F90:510:29: 510 | integer :: ndim, ndp, nqp | 1~~ Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:472:35: 472 | (lverbose, mol, wfx, basis, res) | 1~~ Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:452:45: 452 | subroutine gfnff_property(iunit, n, xyz, topo, nlist) | 1~~~ Warning: Unused dummy argument ‘topo’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:285:40: 285 | (iunit, env, chk, calc, mol, res) | 1~~~ Warning: Unused dummy argument ‘calc’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:285:35: 285 | (iunit, env, chk, calc, mol, res) | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:285:30: 285 | (iunit, env, chk, calc, mol, res) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:285:23: 285 | (iunit, env, chk, calc, mol, res) | 1~~~~ Warning: Unused dummy argument ‘iunit’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:285:46: 285 | (iunit, env, chk, calc, mol, res) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:285:51: 285 | (iunit, env, chk, calc, mol, res) | 1~~ Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:151:24: 151 | integer :: ndim, ndp, nqp | 1~~ Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:151:29: 151 | integer :: ndim, ndp, nqp | 1~~ Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:105:46: 105 | (iunit, env, mol, wfx, basis, xtbData, res, solvModel, acc) | 1~~ Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] [308/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_api_molecule.f90.o -c ../src/api/molecule.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/molecule.f90:124:16: 124 | real(wp) :: latvecs(3, 3) | 1~~~~~~~~~~~~ Warning: Unused variable ‘latvecs’ declared at (1) [-Wunused-variable] [309/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_tblite_calculator.F90.o -c ../src/tblite/calculator.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/tblite/calculator.F90:404:31: 404 | type(TTBLiteCalculator) :: calc_ceh | 1~~~~~~~ Warning: Unused variable ‘calc_ceh’ declared at (1) [-Wunused-variable] ../src/tblite/calculator.F90:410:22: 410 | type(TRestart) :: chk_ceh | 1~~~~~~ Warning: Unused variable ‘chk_ceh’ declared at (1) [-Wunused-variable] ../src/tblite/calculator.F90:412:15: 412 | integer :: ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/tblite/calculator.F90:390:24: 390 | subroutine get_ceh(env,mol,tblite) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:335:34: 335 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:335:28: 335 | subroutine writeInfo(self, unit, mol) | 1~~~ Warning: Unused dummy argument ‘unit’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:273:40: 273 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:274:9: 274 | & energy, gradient, sigma, hlgap, results) | 1~~~~~ Warning: Dummy argument ‘energy’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/tblite/calculator.F90:274:17: 274 | & energy, gradient, sigma, hlgap, results) | 1~~~~~~~ Warning: Dummy argument ‘gradient’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/tblite/calculator.F90:274:34: 274 | & energy, gradient, sigma, hlgap, results) | 1~~~~ Warning: Dummy argument ‘hlgap’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/tblite/calculator.F90:273:35: 273 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:273:45: 273 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~~~~ Warning: Unused dummy argument ‘printlevel’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:273:57: 273 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:274:27: 274 | & energy, gradient, sigma, hlgap, results) | 1~~~~ Warning: Dummy argument ‘sigma’ at (1) was declared INTENT(OUT) but was not set [-Wunused-dummy-argument] ../src/tblite/calculator.F90:214:44: 214 | subroutine newTBLiteWavefunction(env, mol, calc, chk) | 1~~~ Warning: Unused dummy argument ‘calc’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:214:50: 214 | subroutine newTBLiteWavefunction(env, mol, calc, chk) | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:214:39: 214 | subroutine newTBLiteWavefunction(env, mol, calc, chk) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:114:48: 114 | subroutine newTBLiteCalculator(env, mol, calc, input) | 1~~~~ Warning: Unused dummy argument ‘input’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:114:37: 114 | subroutine newTBLiteCalculator(env, mol, calc, input) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] [310/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_iff_iff_ini.f90.o -c ../src/iff/iff_ini.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/iff_ini.f90:580:14: 580 | iz = zeff(ia) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/iff/iff_ini.f90:551:32: 551 | real(wp) :: aw(23, nat), covcn(nat) | 1~~~~~~~~~ Warning: Unused variable ‘covcn’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:31: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~~~~ Warning: Unused variable ‘avmom’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:23: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~ Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:88:74: 88 | real(wp) :: f,fall,fhyd,c6(94),qt1(1),qt2(1),r0,e1(4),c1(4),c6aad4,boxoffset | 1~~~~~~~~ Warning: Unused variable ‘boxoffset’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:87:35: 87 | real(wp) :: cn(n), alp0(n), c6ab1(n1, n1), c6ab2(n2, n2), gsolv_inf | 1~~~~~~~~~~~~ Warning: Unused variable ‘c6ab1’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:87:50: 87 | real(wp) :: cn(n), alp0(n), c6ab1(n1, n1), c6ab2(n2, n2), gsolv_inf | 1~~~~~~~~~~~~ Warning: Unused variable ‘c6ab2’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:27: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~ Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:86:45: 86 | real(wp) :: freq1(3*n1), freq2(3*n2), dum(n), dum1(n1), dum2(n2) | 1~~~~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:81:31: 81 | integer, allocatable :: dum_at(:) | 1~~~~~~~~ Warning: Unused variable ‘dum_at’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:84:19: 84 | real(wp) :: edum, r(3), rr, rrr, r42, c6d4, tmp, thr, a1, a2, s8, ai, aj, p1, fc | 1~~~ Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:86:19: 86 | real(wp) :: freq1(3*n1), freq2(3*n2), dum(n), dum1(n1), dum2(n2) | 1~~~~~~~~~~ Warning: Unused variable ‘freq1’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:86:32: 86 | real(wp) :: freq1(3*n1), freq2(3*n2), dum(n), dum1(n1), dum2(n2) | 1~~~~~~~~~~ Warning: Unused variable ‘freq2’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:48: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~~~ Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:87:65: 87 | real(wp) :: cn(n), alp0(n), c6ab1(n1, n1), c6ab2(n2, n2), gsolv_inf | 1~~~~~~~~ Warning: Unused variable ‘gsolv_inf’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:42: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~~~ Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:105:18: 105 | logical :: linear | 1~~~~~ Warning: Unused variable ‘linear’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:83:27: 83 | integer :: i, j, k, nfreq, np | 1~~~~ Warning: Unused variable ‘nfreq’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:104:19: 104 | character*4 pgroup | 1~~~~~ Warning: Unused variable ‘pgroup’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:44:24: 44 | & pr) | 1~ Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_ini.f90:42:48: 42 | & den1, den2, gab1, gab2, qcm1, qcm2,& | 1~~~ Warning: Unused dummy argument ‘qcm1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_ini.f90:42:54: 42 | & den1, den2, gab1, gab2, qcm1, qcm2,& | 1~~~ Warning: Unused dummy argument ‘qcm2’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_ini.f90:85:65: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~~~ Warning: Unused variable ‘symn’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:54: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~~~~ Warning: Unused variable ‘ts298’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:38: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~ Warning: Unused variable ‘wt’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:61: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1~ Warning: Unused variable ‘zp’ declared at (1) [-Wunused-variable] [311/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_dipro.F90.o -c ../src/dipro.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/dipro.F90:78:48: 78 | subroutine get_jab(env, tblite, mol, fragment, dipro) | 1~~~~ Warning: Unused dummy argument ‘dipro’ at (1) [-Wunused-dummy-argument] ../src/dipro.F90:78:38: 78 | subroutine get_jab(env, tblite, mol, fragment, dipro) | 1~~~~~~~ Warning: Unused dummy argument ‘fragment’ at (1) [-Wunused-dummy-argument] ../src/dipro.F90:78:33: 78 | subroutine get_jab(env, tblite, mol, fragment, dipro) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/dipro.F90:78:25: 78 | subroutine get_jab(env, tblite, mol, fragment, dipro) | 1~~~~~ Warning: Unused dummy argument ‘tblite’ at (1) [-Wunused-dummy-argument] [312/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_api_results.f90.o -c ../src/api/results.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [313/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_iff_calculator.f90.o -c ../src/iff/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/calculator.f90:161:37: 161 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:161:31: 161 | subroutine writeInfo(self, unit, mol) | 1~~~ Warning: Unused dummy argument ‘unit’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:43: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:38: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:48: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~~~~ Warning: Unused dummy argument ‘printlevel’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:60: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:70:31: 70 | integer, allocatable :: at(:) | 1~~~~ Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/iff/calculator.f90:74:40: 74 | character(len=:), allocatable :: fnam | 1~~~ Warning: Unused variable ‘fnam’ declared at (1) [-Wunused-variable] ../src/iff/calculator.f90:73:19: 73 | real(wp) :: molA_e,molB_e | 1~~~~~ Warning: Unused variable ‘mola_e’ declared at (1) [-Wunused-variable] ../src/iff/calculator.f90:73:26: 73 | real(wp) :: molA_e,molB_e | 1~~~~~ Warning: Unused variable ‘molb_e’ declared at (1) [-Wunused-variable] [314/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gfnff_ini.f90.o -c ../src/gfnff/gfnff_ini.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_ini.f90:470:25: 470 | rabd(j, i) = param%rad(mol%at(i)) + param%rad(mol%at(j)) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_ini.f90:60:31: 60 | integer hbA,hbH,Bat,atB,Aat,Hat | 1~~ Warning: Unused variable ‘aat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:60:27: 60 | integer hbA,hbH,Bat,atB,Aat,Hat | 1~~ Warning: Unused variable ‘atb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:113:26: 113 | character(len=255) atmp | 1~~~ Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:60:23: 60 | integer hbA,hbH,Bat,atB,Aat,Hat | 1~~ Warning: Unused variable ‘bat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:85:42: 85 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1~~~ Warning: Unused variable ‘cnij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:57:31: 57 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1~~~~~~ Warning: Unused variable ‘current’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:72:36: 72 | real(wp) shift,dum,dum1,dum2,dum4,qafac,fqq,feta | 1~~~ Warning: Unused variable ‘dum4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:85:39: 85 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:60:35: 60 | integer hbA,hbH,Bat,atB,Aat,Hat | 1~~ Warning: Unused variable ‘hat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:60:15: 60 | integer hbA,hbH,Bat,atB,Aat,Hat | 1~~ Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:60:19: 60 | integer hbA,hbH,Bat,atB,Aat,Hat | 1~~ Warning: Unused variable ‘hbh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:85:15: 85 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1~~~~ Warning: Unused variable ‘heavy’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:63:26: 63 | integer iTr, iTr2, iTri,iTrj,iTrk,iTrDum,iTrlDum,iTrl,iTrtmp | 1~~~ Warning: Unused variable ‘itri’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:74: 55 | 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.f90:55:68: 55 | 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.f90:57:24: 57 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1~ Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:57:18: 57 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1~~~~ Warning: Unused variable ‘maxhb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:57:27: 57 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1~~ Warning: Unused variable ‘n13’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:46: 55 | 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.f90:55:50: 55 | 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.f90:71:22: 71 | real(wp) r0,ff,omega,omegaPBC,f1,f2,phi,valijklff,ringf,fcn | 1~~~~ Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:78:20: 78 | real(wp) fkl,qreps,fbsmall,bohr | 1~~~~ Warning: Unused variable ‘qreps’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:55:38: 55 | 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.f90:84:54: 84 | logical lring,picon,notpicon,bridge,sp3ij,ccij,success | 1~~~~~~ Warning: Unused variable ‘success’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:77:16: 77 | real(wp) xx(20) | 1~~~~~ Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] [315/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_gfnff_setup.f90.o -c ../src/gfnff/gfnff_setup.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_setup.f90:52:25: 52 | logical :: ex | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] [316/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_calculator.f90.o -c ../src/gfnff/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/calculator.f90:345:34: 345 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:317:46: 317 | subroutine print_gfnff_results(iunit,res_gff,verbose,lsolv) | 1~~~~~~ Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:197:15: 197 | logical :: inmol | 1~~~~ Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:195:15: 195 | integer :: mode_sp_run = 1 | 1~~~~~~~~~~ Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:154:57: 154 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:105:22: 105 | logical :: exist, okbas | 1~~~~ Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] [317/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_lbfgs_anc_driver.f90.o -c ../src/lbfgs_anc/driver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lbfgs_anc/driver.f90:317:0: 317 | pure function acosd(x) result(degrees) Warning: ‘acosd’ 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/lbfgs_anc/driver.f90:420:15: 420 | real(wp) :: energy | 1~~~~~ Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable] ../src/lbfgs_anc/driver.f90:347:15: 347 | real(wp) :: energy | 1~~~~~ Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable] ../src/lbfgs_anc/driver.f90:355:26: 355 | real(wp) :: nums(3,3), eps(3,3), er, el | 1~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../src/lbfgs_anc/driver.f90:357:18: 357 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lbfgs_anc/driver.f90:355:15: 355 | real(wp) :: nums(3,3), eps(3,3), er, el | 1~~~~~~~~ Warning: Unused variable ‘nums’ declared at (1) [-Wunused-variable] ../src/lbfgs_anc/driver.f90:46:25: 46 | type(TEnvironment) :: env2 | 1~~~ Warning: Unused variable ‘env2’ declared at (1) [-Wunused-variable] ../src/lbfgs_anc/driver.f90:52:40: 52 | type(TGFFCalculator), allocatable :: gfnff | 1~~~~ Warning: Unused variable ‘gfnff’ declared at (1) [-Wunused-variable] [318/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_optimizer.f90.o -c ../src/optimizer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/optimizer.f90:718:20: 718 | parameter (r4dum=1.e-8) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘REAL(4)’ at (1) [-Wconversion] ../src/optimizer.f90:898:28: 898 | Aaug(1:npvar) = anc%hess ! pack hessian | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:899:28: 899 | Aaug(npvar+1:npvar1-1) = gint ! augment with gradient | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:910:17: 910 | Uaug = Uaug/dsnrm | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:1245:16: 1245 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:1246:16: 1246 | integer :: nhess | 1~~~~ Warning: Unused variable ‘nhess’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:1024:19: 1024 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:996:19: 996 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:703:29: 703 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1~~~~ Warning: Unused variable ‘dnorm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:704:29: 704 | real(wp) :: depred,echng,dummy,maxd,alp,gchng,smallreal,gnold | 1~~~~ Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:618:30: 618 | & 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.f90:701:16: 701 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:701:49: 701 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:701:40: 701 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:701:26: 701 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:701:30: 701 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:703:16: 703 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1~~~~~ Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:701:33: 701 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1~~~~ Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:701:46: 701 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:618:33: 618 | & 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.f90:702:48: 702 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:702:54: 702 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:702:51: 702 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1~ Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:702:57: 702 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1~ Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:703:45: 703 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1~~~ Warning: Unused variable ‘xdum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:250:21: 250 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,edum,thr,aaa,bbb | 1~~~~~ Warning: Unused variable ‘amu2au’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:250:28: 250 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,edum,thr,aaa,bbb | 1~~~~ Warning: Unused variable ‘au2cm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:272:28: 272 | real(wp),allocatable :: aux(:) | 1~~~~~ Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:262:28: 262 | real(wp),allocatable :: b (:,:) | 1~~~~~~ Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:250:44: 250 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,edum,thr,aaa,bbb | 1~~~ Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:286:28: 286 | real(wp),allocatable :: dipgrad(:,:) | 1~~~~~~~~~~~ Warning: Unused variable ‘dipgrad’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:250:49: 250 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,edum,thr,aaa,bbb | 1~~~ Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:172:16: 172 | real(wp) :: eel | 1~~ Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:251:16: 251 | real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc | 1~~~~~ Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:300:26: 300 | character(len=128) :: errStr | 1~~~~~ Warning: Unused variable ‘errstr’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:273:28: 273 | real(wp),allocatable :: hess(:) | 1~~~~~~ Warning: Unused variable ‘hess’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:260:37: 260 | real(wp),allocatable :: h (:,:), hess_tmp(:,:) | 1~~~~~~~~~~~~ Warning: Unused variable ‘hess_tmp’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:37: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~ Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:31: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~ Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:43: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~ Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:49: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~~~ Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:254:22: 254 | integer :: nread,itry,iii | 1~~~ Warning: Unused variable ‘itry’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:274:28: 274 | integer, allocatable :: iwork(:) | 1~~~~~~~ Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:40: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~ Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:34: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~ Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:46: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:27: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~~ Warning: Unused variable ‘jjj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:25: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:287:28: 287 | integer, allocatable :: list(:) | 1~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:253:16: 253 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info | 1~ Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:254:16: 254 | integer :: nread,itry,iii | 1~~~~ Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:200:25: 200 | type(scc_results) :: res | 1~~ Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:251:27: 251 | real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc | 1~~~~~ Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:250:16: 250 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,edum,thr,aaa,bbb | 1~~~ Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:248:16: 248 | real(wp) :: step_hess | 1~~~~~~~~ Warning: Unused variable ‘step_hess’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:251:37: 251 | real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:251:34: 251 | real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:275:28: 275 | integer, allocatable :: totsym(:) | 1~~~~~~~~ Warning: Unused variable ‘totsym’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:251:43: 251 | real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc | 1~ Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:251:40: 251 | real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc | 1~ Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] [319/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_oniom.f90.o -c ../src/oniom.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/oniom.f90:1547:28: 1547 | integer, allocatable :: at(:) | 1~~~~ Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1545:18: 1545 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1545:24: 1545 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1523:37: 1523 | function calculateCharge(self, env, mol, chk) result(chrg_model) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:1545:21: 1545 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1545:27: 1545 | integer :: i, j, n, k, pre_last | 1~~~~~~~ Warning: Unused variable ‘pre_last’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1499:15: 1499 | integer :: b | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1473:31: 1473 | subroutine checkfororder(env, mol, idx1, idx2, bond, hybrid) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:1391:18: 1391 | integer :: i, j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1112:15: 1112 | integer :: i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1112:17: 1112 | integer :: i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1112:19: 1112 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/oniom.f90:628:28: 628 | integer, allocatable :: brokenBondPairs(:,:) | 1~~~~~~~~~~~~~~~~~~~ Warning: Unused variable ‘brokenbondpairs’ declared at (1) [-Wunused-variable] ../src/oniom.f90:645:24: 645 | integer :: i, j, k, pre_last, pre_last_out, iterator | 1~~~~~~~ Warning: Unused variable ‘pre_last’ declared at (1) [-Wunused-variable] ../src/oniom.f90:645:34: 645 | integer :: i, j, k, pre_last, pre_last_out, iterator | 1~~~~~~~~~~~ Warning: Unused variable ‘pre_last_out’ declared at (1) [-Wunused-variable] ../src/oniom.f90:573:34: 573 | subroutine writeInfo(self, unit, mol) | 1~~ Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:573:28: 573 | subroutine writeInfo(self, unit, mol) | 1~~~ Warning: Unused dummy argument ‘unit’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:484:70: 484 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad, polgrad) | 1~~~~~~ Warning: Unused dummy argument ‘polgrad’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:256:18: 256 | integer :: i, coord_unit | 1~~~~~~~~~ Warning: Unused variable ‘coord_unit’ declared at (1) [-Wunused-variable] ../src/oniom.f90:122:15: 122 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/oniom.f90:119:42: 119 | type(TOrcaCalculator), allocatable :: orca | 1~~~ Warning: Unused variable ‘orca’ declared at (1) [-Wunused-variable] ../src/oniom.f90: In function ‘__xtb_oniom_MOD_calculatecharge’: ../src/oniom.f90:1567:12: warning: ‘chrg_model’ may be used uninitialized [-Wmaybe-uninitialized] 1567 | return | ^ ../src/oniom.f90:1523:64: note: ‘chrg_model’ was declared here 1523 | function calculateCharge(self, env, mol, chk) result(chrg_model) | ^ [320/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_main_setup.f90.o -c ../src/main/setup.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [321/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_main_defaults.f90.o -c ../src/main/defaults.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [322/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_api_calculator.f90.o -c ../src/api/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [323/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_iff_iff_prepare.f90.o -c ../src/iff/iff_prepare.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/iff_prepare.f90:150:41: 150 | if (uhf(1) /= 0.0_wp) mol%uhf = uhf(1) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/iff/iff_prepare.f90:153:41: 153 | if (uhf(2) /= 0.0_wp) mol%uhf = uhf(2) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/iff/iff_prepare.f90:109:18: 109 | integer :: gsolvstate !Should be gas | 1~~~~~~~~~ Warning: Unused variable ‘gsolvstate’ declared at (1) [-Wunused-variable] ../src/iff/iff_prepare.f90:61:31: 61 | integer, allocatable :: at(:) | 1~~~~ Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/iff/iff_prepare.f90:62:32: 62 | real(wp), allocatable :: xyz(:, :) | 1~~~~~~~~ Warning: Unused variable ‘xyz’ declared at (1) [-Wunused-variable] ../src/iff/iff_prepare.f90: In function ‘__xtb_iff_iffprepare_MOD_precomp’: ../src/iff/iff_prepare.f90:230:37: warning: ‘extrun_tmp’ may be used uninitialized [-Wmaybe-uninitialized] 230 | set%mode_extrun = extrun_tmp | ^ ../src/iff/iff_prepare.f90:120:18: note: ‘extrun_tmp’ was declared here 120 | integer :: extrun_tmp | ^~~~~~~~~~ ../src/iff/iff_prepare.f90:231:34: warning: ‘newdisp_tmp’ may be used uninitialized [-Wmaybe-uninitialized] 231 | set%newdisp = newdisp_tmp | ^ ../src/iff/iff_prepare.f90:122:18: note: ‘newdisp_tmp’ was declared here 122 | logical :: newdisp_tmp | ^~~~~~~~~~~ [324/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_api_interface.f90.o -c ../src/api/interface.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [325/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_relaxation_engine.f90.o -c ../src/relaxation_engine.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:940:16: 940 | real(wp) :: depred | 1~~~~~ Warning: Unused variable ‘depred’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:934:19: 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.f90:941:16: 941 | real(wp) :: max_displacement | 1~~~~~~~~~~~~~~~ Warning: Unused variable ‘max_displacement’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:826:15: 826 | integer :: lastiter | 1~~~~~~~ Warning: Unused variable ‘lastiter’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:193:16: 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.f90:1227:16: note: ‘lat_apar’ was declared here 1227 | real(wp) :: lat_apar | ^~~~~~~~ ../src/relaxation_engine.f90:1223:16: warning: ‘lat_gnorm’ may be used uninitialized [-Wmaybe-uninitialized] 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.f90:1226:16: 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.f90:452:15: note: ‘pr’ declared here 452 | logical :: pr | ^~ [326/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_geoopt_driver.f90.o -c ../src/geoopt_driver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [327/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_mdoptim.f90.o -c ../src/mdoptim.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:40:45: 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.f90:59:12: 59 | logical ex, fail | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:48:16: 48 | integer :: icall,maxiter | 1~~~~ Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:40:49: 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.f90:57:29: 57 | integer i,j,iz1,iz2,nall,ol | 1~ Warning: Unused variable ‘ol’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:52:25: 52 | type(scc_results) :: res | 1~~ Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] [328/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_getkopt.f90.o -c ../src/getkopt.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/getkopt.f90:112:42: 112 | & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,& | 1~ Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:132:50: 132 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/getkopt.f90:112:21: 112 | & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,& | 1~~~~~~ Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:41:25: 41 | & etot,g,sigma,acc) | 1~~ Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:67:50: 67 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../src/getkopt.f90:62:50: 62 | integer :: idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] [329/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_gfnff_struc_converter.f90.o -c ../src/gfnff/struc_converter.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:26:37: 26 | & env,restart,mol,chk,egap,et,maxiter,maxcycle,& | 1~ Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/gfnff/struc_converter.f90:67:50: 67 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/gfnff/struc_converter.f90:59:50: 59 | integer :: ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [330/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_scan_driver.f90.o -c ../src/scan_driver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scan_driver.f90:55:16: 55 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [331/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_screening.f90.o -c ../src/screening.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:279:31: 279 | integer :: i,j,k,l,m,ndum,nstep,dumpstep | 1~~~~ Warning: Unused variable ‘nstep’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:30: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1~~ Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/screening.f90:71:15: 71 | logical :: checkrmsd | 1~~~~~~~~ Warning: Unused variable ‘checkrmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:24: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1~~~ Warning: Unused variable ‘dens’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:52: 70 | logical :: fail,equalrot2,ohbonded,include_enan,enan,ex | 1~~~ Warning: Unused variable ‘enan’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:18: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1~~~~ Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:23: 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.f90:67:26: 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.f90:49:12: 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.f90:67:37: 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.f90:67:50: 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.f90:67:41: 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.f90:68:20: 68 | integer :: nall,ntemp,ncnf1,icyc,maxoptiter | 1~~~~ Warning: Unused variable ‘ntemp’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:30: 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.f90:59:28: 59 | real(wp),allocatable :: rmat(:),eread(:) | 1~~~~~~ Warning: Unused variable ‘rmat’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:25: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1~~~ Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:16: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1~~~~~ Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] [332/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_modef.f90.o -c ../src/modef.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/modef.f90:170:52: 170 | write(*,'(''Erel (w.r.t input min / kcal :'' f8.3)') & | 1 Warning: Legacy Extension: Missing comma in FORMAT string at (1) ../src/modef.f90:468:58: 468 | write(*,'(''Erel (w.r.t input min / kcal :'' f8.3)') & | 1 Warning: Legacy Extension: Missing comma in FORMAT string at (1) ../src/modef.f90:504:52: 504 | write(*,'(''Erel (w.r.t input min / kcal :'' f8.3)') & | 1 Warning: Legacy Extension: Missing comma in FORMAT string at (1) ../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.f90:71:32: 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.f90:71:44: 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.f90:71:36: 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.f90:71:48: 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.f90:67:63: 67 | real(wp),allocatable:: coord0(:,:), displ(:), xyzmin(:,:), bmat(:,:) | 1~~~~~~~~ Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:40: 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.f90:71:52: 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.f90:71:63: 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.f90:59:15: 59 | integer :: icall,maxiter | 1~~~~ Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/modef.f90:74:34: 74 | integer :: m,ifind,isave,imod,kkk,minpos,tag,n36 | 1~~ Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable] ../src/modef.f90:74:49: 74 | integer :: m,ifind,isave,imod,kkk,minpos,tag,n36 | 1~~ Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/modef.f90:80:23: 80 | logical :: ex,fail,vecupdate,scfonly,ldum,intermol | 1~~~~~~~~ Warning: Unused variable ‘vecupdate’ declared at (1) [-Wunused-variable] [333/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_bias_path.f90.o -c ../src/bias_path.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bias_path.f90:862:29: 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.f90:852:31: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | 1~~~ Warning: Unused dummy argument ‘xyz0’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:852:36: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | 1~~~ Warning: Unused dummy argument ‘xyz1’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:770:13: 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.f90:770:19: 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.f90:771:13: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:16: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:19: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:22: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:25: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:28: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1~ Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:602:16: 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.f90:602:30: 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.f90:526:22: 526 | integer :: modef, idat | 1~~~ Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:514:32: 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.f90:526:15: 526 | integer :: modef, idat | 1~~~~ Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:524:29: 524 | real(wp), allocatable :: pvec1(:), pvec2(:) | 1~~~~~~~ Warning: Unused variable ‘pvec1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:524:39: 524 | real(wp), allocatable :: pvec1(:), pvec2(:) | 1~~~~~~~ Warning: Unused variable ‘pvec2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:514:36: 514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull) | 1~~~~~~ Warning: Unused dummy argument ‘xyzpath’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:88:13: 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.f90:85:43: 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.f90:84:39: 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.f90:84:52: 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.f90:84:49: 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.f90:88:29: 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.f90:88:34: 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.f90:86:52: 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.f90:30:62: 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.f90:91:17: 91 | logical fail,ex,done,degen | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:44: 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.f90:85:51: 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.f90:88:20: 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.f90:82:23: 82 | integer ilog,ilog2,idat ! file handle | 1~~~ Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:80:53: 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.f90:81:24: 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.f90:80:21: 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.f90:84:63: 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.f90:80:29: 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.f90:85:19: 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.f90:85:62: 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.f90:81:41: 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.f90:85:70: 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.f90:85:73: 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.f90:85:13: 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.f90:85:25: 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.f90:665:1: 665 | subroutine cqpath_repos_asym(n,x1,x2) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘cqpath_repos_asym’ defined but not used [-Wunused-function] ../src/bias_path.f90:698:1: 698 | subroutine cqpath_cube_spline(n,x,y,x2,y2) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘cqpath_cube_spline’ defined but not used [-Wunused-function] ../src/bias_path.f90:852:1: 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: ../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_alignpath’: ../src/bias_path.f90:737:13: note: ‘y_wert’ was declared here 737 | real(wp) y_wert | ^~~~~~ [334/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o libxtb.so.6.7.1.p/src_docking_search_nci.f90.o -c ../src/docking/search_nci.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/docking/search_nci.f90:41:7: 41 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/docking/search_nci.f90:1172:24: 1172 | integer :: i, j, k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:1136:33: 1136 | subroutine constrain_xTB_gff(env, mol) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/docking/search_nci.f90:1023:19: 1023 | real(wp) :: e_tmp(nall), xyz_tmp(3, n, nall) | 1~~~~~~~~~~ Warning: Unused variable ‘e_tmp’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:31: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:35: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:39: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘a3’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:187:20: 187 | character*80 atmp | 1~~~ Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:148:26: 148 | type(TTopology) :: bonds | 1~~~~ Warning: Unused variable ‘bonds’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:124:43: 124 | real(wp) :: found_tmp(6), displ(6), c2(3, n2), f(6), bestsofar | 1~~~~~~~~ Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:71:86: 71 | & den1, den2, gab1, gab2, molA_e, molB_e, cprob, emin, coord, comb) | 1~~~~ Warning: Unused dummy argument ‘coord’ at (1) [-Wunused-dummy-argument] ../src/docking/search_nci.f90:71:80: 71 | & den1, den2, gab1, gab2, molA_e, molB_e, cprob, emin, coord, comb) | 1~~~ Warning: Unused dummy argument ‘emin’ at (1) [-Wunused-dummy-argument] ../src/docking/search_nci.f90:125:74: 125 | real(wp) :: r,e,dx,dy,dz,xx1,yy1,zz1,bord,bord_rg,stepr3(3),stepr4,eshift | 1~~~~~ Warning: Unused variable ‘eshift’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:161:25: 161 | real(wp) :: egap, et, etot, grad(3, n), sigma(3, 3) | 1~ Warning: Unused variable ‘et’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:180:39: 180 | character(len=:),allocatable :: extension, fin_name | 1~~~~~~~~ Warning: Unused variable ‘extension’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:145:31: 145 | type(TGFFCalculator) :: gff_calc | 1~~~~~~~ Warning: Unused variable ‘gff_calc’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:168:44: 168 | integer :: itopo = 32, ipocket = 53, ichr = 33, iscreen = 34 | 1~~~ Warning: Unused variable ‘ichr’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:134:81: 134 | integer :: m1, m2, m3, l, nn, ndim, ll, kkk, kkkk, mfrag, maxlow, nclust, ierr | 1~~~ Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:167:41: 167 | integer :: itemp = 64, iopt = 96, iprob = 30, ifinal = 31 | 1~~~~ Warning: Unused variable ‘iprob’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:168:55: 168 | integer :: itopo = 32, ipocket = 53, ichr = 33, iscreen = 34 | 1~~~~~~ Warning: Unused variable ‘iscreen’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:132:63: 132 | integer :: i, j, k, nang, nr, ii, jj, ns, icycle, maxs, iseed(2) | 1~~~~~~~ Warning: Unused variable ‘iseed’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:168:18: 168 | integer :: itopo = 32, ipocket = 53, ichr = 33, iscreen = 34 | 1~~~~ Warning: Unused variable ‘itopo’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:132:41: 132 | integer :: i, j, k, nang, nr, ii, jj, ns, icycle, maxs, iseed(2) | 1~ Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:134:47: 134 | integer :: m1, m2, m3, l, nn, ndim, ll, kkk, kkkk, mfrag, maxlow, nclust, ierr | 1~~ Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:134:52: 134 | integer :: m1, m2, m3, l, nn, ndim, ll, kkk, kkkk, mfrag, maxlow, nclust, ierr | 1~~~ Warning: Unused variable ‘kkkk’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:132:57: 132 | integer :: i, j, k, nang, nr, ii, jj, ns, icycle, maxs, iseed(2) | 1~~~ Warning: Unused variable ‘maxs’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:139:18: 139 | integer :: maxstruc | 1~~~~~~~ Warning: Unused variable ‘maxstruc’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:178:18: 178 | integer :: minpos | 1~~~~~ Warning: Unused variable ‘minpos’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:132:27: 132 | integer :: i, j, k, nang, nr, ii, jj, ns, icycle, maxs, iseed(2) | 1~~~ Warning: Unused variable ‘nang’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:132:33: 132 | integer :: i, j, k, nang, nr, ii, jj, ns, icycle, maxs, iseed(2) | 1~ Warning: Unused variable ‘nr’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:132:45: 132 | integer :: i, j, k, nang, nr, ii, jj, ns, icycle, maxs, iseed(2) | 1~ Warning: Unused variable ‘ns’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:150:40: 150 | character(len=:), allocatable :: pfile | 1~~~~ Warning: Unused variable ‘pfile’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:27: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:131:19: 131 | real*4 :: r4 | 1~ Warning: Unused variable ‘r4’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:129:19: 129 | real(wp) :: rmsd(n_opt*(n_opt + 1)/2) | 1~~~~~~~~~~~~~~~~~~~~~~~~ Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:67: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:71: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:176:19: 176 | real(wp) :: tmp_e | 1~~~~ Warning: Unused variable ‘tmp_e’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:57: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~~~~~~~ Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:138:18: 138 | logical :: tooclose | 1~~~~~~~ Warning: Unused variable ‘tooclose’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:146:42: 146 | type(TGFFTopology) :: topo_backup, topo_xTB | 1~~~~~~~ Warning: Unused variable ‘topo_xtb’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:75: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:127:79: 127 | real(wp) :: r1, r2, r3, a1, a2, a3, av, sig, epq, tmpx(15), t0, t1, w0, w1 | 1~ Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:140:29: 140 | character(len=100) :: warning | 1~~~~~~ Warning: Unused variable ‘warning’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90: In function ‘__xtb_docking_search_nci_MOD_docking_search’: ../src/docking/search_nci.f90:656:16: warning: ‘bestsofar’ may be used uninitialized [-Wmaybe-uninitialized] 656 | if (rprob(1)*au .lt. bestsofar) then | ^ ../src/docking/search_nci.f90:124:60: note: ‘bestsofar’ was declared here 124 | real(wp) :: found_tmp(6), displ(6), c2(3, n2), f(6), bestsofar | ^~~~~~~~~ ../src/docking/search_nci.f90:241:60: warning: ‘.fnv’ may be used uninitialized [-Wmaybe-uninitialized] 241 | call newCalculator(env, comb, calc, fnv, restart, acc) | ^ ../src/docking/search_nci.f90:1040:27: note: ‘.fnv’ was declared here 1040 | end subroutine sortxyz_e | ^ ../src/docking/search_nci.f90:937:64: warning: ‘xyz_pocket.offset’ may be used uninitialized [-Wmaybe-uninitialized] 937 | xyz_opt(i, j, n_opt + k) = xyz_pocket(i, j, k) | ^ ../src/docking/search_nci.f90:170:32: note: ‘xyz_pocket.offset’ was declared here 170 | real(wp), allocatable :: xyz_pocket(:, :, :) | ^~~~~~~~~~~~~~~~~~~ ../src/docking/search_nci.f90:937:64: warning: ‘xyz_pocket.dim[2].stride’ may be used uninitialized [-Wmaybe-uninitialized] 937 | xyz_opt(i, j, n_opt + k) = xyz_pocket(i, j, k) | ^ ../src/docking/search_nci.f90:170:32: note: ‘xyz_pocket.dim[2].stride’ was declared here 170 | real(wp), allocatable :: xyz_pocket(:, :, :) | ^~~~~~~~~~~~~~~~~~~ [335/335] rm -f libxtb.a && gcc-ar csrD libxtb.a libxtb.so.6.7.1.p/src_api_calculator.f90.o libxtb.so.6.7.1.p/src_api_environment.f90.o libxtb.so.6.7.1.p/src_api_molecule.f90.o libxtb.so.6.7.1.p/src_api_interface.f90.o libxtb.so.6.7.1.p/src_api_results.f90.o libxtb.so.6.7.1.p/src_api_utils.f90.o libxtb.so.6.7.1.p/src_api_version.f90.o libxtb.so.6.7.1.p/src_coulomb_ewald.f90.o libxtb.so.6.7.1.p/src_coulomb_gaussian.f90.o libxtb.so.6.7.1.p/src_coulomb_klopmanohno.f90.o libxtb.so.6.7.1.p/src_dipro_bondorder.F90.o libxtb.so.6.7.1.p/src_dipro_fragment.f90.o libxtb.so.6.7.1.p/src_dipro_version.f90.o libxtb.so.6.7.1.p/src_dipro_xtb.F90.o libxtb.so.6.7.1.p/src_dipro_output.f90.o libxtb.so.6.7.1.p/src_disp_coordinationnumber.f90.o libxtb.so.6.7.1.p/src_disp_dftd3.f.o libxtb.so.6.7.1.p/src_disp_dftd3.f90.o libxtb.so.6.7.1.p/src_disp_dftd3_parameters.f90.o libxtb.so.6.7.1.p/src_disp_dftd4.F90.o libxtb.so.6.7.1.p/src_disp_dftd4_parameters.f90.o libxtb.so.6.7.1.p/src_disp_encharges.f90.o libxtb.so.6.7.1.p/src_disp_ncoord.f90.o libxtb.so.6.7.1.p/src_docking_search_nci.f90.o libxtb.so.6.7.1.p/src_docking_param.f90.o libxtb.so.6.7.1.p/src_docking_set_module.f90.o libxtb.so.6.7.1.p/src_extern_driver.f90.o libxtb.so.6.7.1.p/src_extern_mopac.f90.o libxtb.so.6.7.1.p/src_extern_orca.f90.o libxtb.so.6.7.1.p/src_extern_turbomole.f90.o libxtb.so.6.7.1.p/src_freq_io.f90.o libxtb.so.6.7.1.p/src_freq_project.f90.o libxtb.so.6.7.1.p/src_freq_utils.f90.o libxtb.so.6.7.1.p/src_gfnff_calculator.f90.o libxtb.so.6.7.1.p/src_gfnff_data.f90.o libxtb.so.6.7.1.p/src_gfnff_frag_hess.f90.o libxtb.so.6.7.1.p/src_gfnff_gdisp0.f90.o libxtb.so.6.7.1.p/src_gfnff_generator.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_eg.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_ini.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_ini2.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_param.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_qm.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_rab.f.o libxtb.so.6.7.1.p/src_gfnff_gfnff_setup.f90.o libxtb.so.6.7.1.p/src_gfnff_math.f.o libxtb.so.6.7.1.p/src_gfnff_mrec.f90.o libxtb.so.6.7.1.p/src_gfnff_neighbourlist.f90.o libxtb.so.6.7.1.p/src_gfnff_shake_module.f90.o libxtb.so.6.7.1.p/src_gfnff_struc_converter.f90.o libxtb.so.6.7.1.p/src_gfnff_topology.f90.o libxtb.so.6.7.1.p/src_gfnff_neighbor.f90.o libxtb.so.6.7.1.p/src_io_reader_genformat.f90.o libxtb.so.6.7.1.p/src_io_reader_orca.f90.o libxtb.so.6.7.1.p/src_io_reader_turbomole.f90.o libxtb.so.6.7.1.p/src_io_writer_gaussian.f90.o libxtb.so.6.7.1.p/src_io_writer_orca.f90.o libxtb.so.6.7.1.p/src_io_writer_turbomole.f90.o libxtb.so.6.7.1.p/src_io_reader.f90.o libxtb.so.6.7.1.p/src_io_writer.f90.o libxtb.so.6.7.1.p/src_iff_calculator.f90.o libxtb.so.6.7.1.p/src_iff_data.f90.o libxtb.so.6.7.1.p/src_iff_iff_energy.f90.o libxtb.so.6.7.1.p/src_iff_iff_ini.f90.o libxtb.so.6.7.1.p/src_iff_iff_lmo.f90.o libxtb.so.6.7.1.p/src_iff_iff_prepare.f90.o libxtb.so.6.7.1.p/src_main_defaults.f90.o libxtb.so.6.7.1.p/src_main_geometry.f90.o libxtb.so.6.7.1.p/src_main_json.F90.o libxtb.so.6.7.1.p/src_main_property.F90.o libxtb.so.6.7.1.p/src_main_setup.f90.o libxtb.so.6.7.1.p/src_mctc_blas_level1.F90.o libxtb.so.6.7.1.p/src_mctc_blas_level2.F90.o libxtb.so.6.7.1.p/src_mctc_blas_level3.F90.o libxtb.so.6.7.1.p/src_mctc_blas_wrap1.f90.o libxtb.so.6.7.1.p/src_mctc_blas_wrap2.f90.o libxtb.so.6.7.1.p/src_mctc_blas_wrap3.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_eigensolve.F90.o libxtb.so.6.7.1.p/src_mctc_lapack_geneigval.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_gst.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_stdeigval.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_trf.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_tri.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_trs.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_wrap.f90.o libxtb.so.6.7.1.p/src_mctc_accuracy.f90.o libxtb.so.6.7.1.p/src_mctc_boundaryconditions.f90.o libxtb.so.6.7.1.p/src_mctc_chartools.f90.o libxtb.so.6.7.1.p/src_mctc_convert.f90.o libxtb.so.6.7.1.p/src_mctc_filetypes.f90.o libxtb.so.6.7.1.p/src_mctc_io.f90.o libxtb.so.6.7.1.p/src_mctc_math.f90.o libxtb.so.6.7.1.p/src_mctc_namegen.f90.o libxtb.so.6.7.1.p/src_mctc_resize.f90.o libxtb.so.6.7.1.p/src_mctc_runtypes.f90.o libxtb.so.6.7.1.p/src_mctc_search.f90.o libxtb.so.6.7.1.p/src_mctc_sort.f90.o libxtb.so.6.7.1.p/src_mctc_symbols.f90.o libxtb.so.6.7.1.p/src_mctc_systools.F90.o libxtb.so.6.7.1.p/src_mctc_thresholds.f90.o libxtb.so.6.7.1.p/src_mctc_version.f90.o libxtb.so.6.7.1.p/src_mctc_mctc_global.F90.o libxtb.so.6.7.1.p/src_mctc_mctc_strings.f90.o libxtb.so.6.7.1.p/src_mctc_mctc_constants.f90.o libxtb.so.6.7.1.p/src_mctc_mctc_param.f90.o libxtb.so.6.7.1.p/src_mctc_param_atomic_masses.f90.o libxtb.so.6.7.1.p/src_mctc_param_chemical_hardnesses.f90.o libxtb.so.6.7.1.p/src_mctc_param_covalent_radii.f90.o libxtb.so.6.7.1.p/src_mctc_param_electronegativities.f90.o libxtb.so.6.7.1.p/src_mctc_param_pse.f90.o libxtb.so.6.7.1.p/src_mctc_param_r4r2_expectation_values.f90.o libxtb.so.6.7.1.p/src_mctc_mctc_timings.f90.o libxtb.so.6.7.1.p/src_mctc_mctc_filetools.f90.o libxtb.so.6.7.1.p/src_mctc_linalg.f90.o libxtb.so.6.7.1.p/src_mctc_lapack.f90.o libxtb.so.6.7.1.p/src_mctc_blas.f90.o libxtb.so.6.7.1.p/src_mctc_mctc_init.F90.o libxtb.so.6.7.1.p/src_mctc_error.f90.o libxtb.so.6.7.1.p/src_mctc_signal.c.o libxtb.so.6.7.1.p/src_param_atomicmass.f90.o libxtb.so.6.7.1.p/src_param_atomicrad.f90.o libxtb.so.6.7.1.p/src_param_covalentradd3.f90.o libxtb.so.6.7.1.p/src_param_paulingen.f90.o libxtb.so.6.7.1.p/src_param_sqrtzr4r2.f90.o libxtb.so.6.7.1.p/src_param_vdwradd3.f90.o libxtb.so.6.7.1.p/src_param_vdwradcosmo.f90.o libxtb.so.6.7.1.p/src_ptb_calculator.F90.o libxtb.so.6.7.1.p/src_ptb_param.F90.o libxtb.so.6.7.1.p/src_ptb_data.f90.o libxtb.so.6.7.1.p/src_ptb_vdzp.F90.o libxtb.so.6.7.1.p/src_ptb_twostepscf.F90.o libxtb.so.6.7.1.p/src_ptb_integrals.F90.o libxtb.so.6.7.1.p/src_ptb_mmlpopanalysis.F90.o libxtb.so.6.7.1.p/src_ptb_ncoord.F90.o libxtb.so.6.7.1.p/src_ptb_corebasis.F90.o libxtb.so.6.7.1.p/src_ptb_hamiltonian.F90.o libxtb.so.6.7.1.p/src_ptb_guess.F90.o libxtb.so.6.7.1.p/src_ptb_paulixc.F90.o libxtb.so.6.7.1.p/src_ptb_integral_types.F90.o libxtb.so.6.7.1.p/src_ptb_coulomb.F90.o libxtb.so.6.7.1.p/src_ptb_plusu.F90.o libxtb.so.6.7.1.p/src_ptb_property.F90.o libxtb.so.6.7.1.p/src_ptb_response.F90.o libxtb.so.6.7.1.p/src_solv_ddcosmo_core.f90.o libxtb.so.6.7.1.p/src_solv_ddcosmo_solver.f90.o libxtb.so.6.7.1.p/src_solv_born.f90.o libxtb.so.6.7.1.p/src_solv_cm5.f90.o libxtb.so.6.7.1.p/src_solv_cosmo.f90.o libxtb.so.6.7.1.p/src_solv_cpx.F90.o libxtb.so.6.7.1.p/src_solv_gbsa.f90.o libxtb.so.6.7.1.p/src_solv_input.F90.o libxtb.so.6.7.1.p/src_solv_kernel.f90.o libxtb.so.6.7.1.p/src_solv_lebedev.f90.o libxtb.so.6.7.1.p/src_solv_model.f90.o libxtb.so.6.7.1.p/src_solv_sasa.f90.o libxtb.so.6.7.1.p/src_solv_state.f90.o libxtb.so.6.7.1.p/src_solv_ddvolume.f90.o libxtb.so.6.7.1.p/src_tblite_calculator.F90.o libxtb.so.6.7.1.p/src_tblite_restart.F90.o libxtb.so.6.7.1.p/src_tblite_mapping.F90.o libxtb.so.6.7.1.p/src_type_anc.f90.o libxtb.so.6.7.1.p/src_type_atomlist.f90.o libxtb.so.6.7.1.p/src_type_basisset.f90.o libxtb.so.6.7.1.p/src_type_buffer.f90.o libxtb.so.6.7.1.p/src_type_calculator.f90.o libxtb.so.6.7.1.p/src_type_coulomb.f90.o libxtb.so.6.7.1.p/src_type_data.f90.o libxtb.so.6.7.1.p/src_type_dispersion_model.f90.o libxtb.so.6.7.1.p/src_type_environment.f90.o libxtb.so.6.7.1.p/src_type_fragments.f90.o libxtb.so.6.7.1.p/src_type_identitymap.f90.o libxtb.so.6.7.1.p/src_type_iohandler.f90.o libxtb.so.6.7.1.p/src_type_molecule.f90.o libxtb.so.6.7.1.p/src_type_neighbourlist.f90.o libxtb.so.6.7.1.p/src_type_latticepoint.f90.o libxtb.so.6.7.1.p/src_type_options.f90.o libxtb.so.6.7.1.p/src_type_param.f90.o libxtb.so.6.7.1.p/src_type_pcem.f90.o libxtb.so.6.7.1.p/src_type_reader.F90.o libxtb.so.6.7.1.p/src_type_restart.F90.o libxtb.so.6.7.1.p/src_type_setvar.f90.o libxtb.so.6.7.1.p/src_type_solvation.f90.o libxtb.so.6.7.1.p/src_type_timer.f90.o libxtb.so.6.7.1.p/src_type_topology.f90.o libxtb.so.6.7.1.p/src_type_wavefunction.f90.o libxtb.so.6.7.1.p/src_type_wignerseitzcell.f90.o libxtb.so.6.7.1.p/src_type_wsc.f90.o libxtb.so.6.7.1.p/src_type_vendordata.f90.o libxtb.so.6.7.1.p/src_xtb_basisset.f90.o libxtb.so.6.7.1.p/src_xtb_calculator.f90.o libxtb.so.6.7.1.p/src_xtb_coulomb.f90.o libxtb.so.6.7.1.p/src_xtb_data.f90.o libxtb.so.6.7.1.p/src_xtb_dispersion.f90.o libxtb.so.6.7.1.p/src_xtb_eeq.f90.o libxtb.so.6.7.1.p/src_xtb_gfn0.f90.o libxtb.so.6.7.1.p/src_xtb_gfn1.f90.o libxtb.so.6.7.1.p/src_xtb_gfn2.f90.o libxtb.so.6.7.1.p/src_xtb_halogen.f90.o libxtb.so.6.7.1.p/src_xtb_hamiltonian.f90.o libxtb.so.6.7.1.p/src_xtb_hamiltonian_gpu.f90.o libxtb.so.6.7.1.p/src_xtb_multipole.f90.o libxtb.so.6.7.1.p/src_xtb_repulsion.F90.o libxtb.so.6.7.1.p/src_xtb_thirdorder.f90.o libxtb.so.6.7.1.p/src_lbfgs_anc_driver.f90.o libxtb.so.6.7.1.p/src_lbfgs_anc_filter_type.f90.o libxtb.so.6.7.1.p/src_lbfgs_anc_filter_cart.f90.o libxtb.so.6.7.1.p/src_lbfgs_anc_filter.f90.o libxtb.so.6.7.1.p/src_lbfgs_anc_optimizer.f90.o libxtb.so.6.7.1.p/src_lbfgs_anc_lbfgs.f90.o libxtb.so.6.7.1.p/src_aespot.f90.o libxtb.so.6.7.1.p/src_anharmlib.f90.o libxtb.so.6.7.1.p/src_aoparam.f90.o libxtb.so.6.7.1.p/src_approxrab.f90.o libxtb.so.6.7.1.p/src_axis_trafo.f90.o libxtb.so.6.7.1.p/src_basic_geo.f90.o libxtb.so.6.7.1.p/src_bfgs.f90.o libxtb.so.6.7.1.p/src_bias_path.f90.o libxtb.so.6.7.1.p/src_blowsy.f90.o libxtb.so.6.7.1.p/src_broyden.f90.o libxtb.so.6.7.1.p/src_charge_model.f90.o libxtb.so.6.7.1.p/src_coffee.f90.o libxtb.so.6.7.1.p/src_constrain_param.f90.o libxtb.so.6.7.1.p/src_constrain_pot.f90.o libxtb.so.6.7.1.p/src_constr.f90.o libxtb.so.6.7.1.p/src_cqpath.f90.o libxtb.so.6.7.1.p/src_cube.f90.o libxtb.so.6.7.1.p/src_david2.f90.o libxtb.so.6.7.1.p/src_david.f.o libxtb.so.6.7.1.p/src_define.f90.o libxtb.so.6.7.1.p/src_detrotra.f90.o libxtb.so.6.7.1.p/src_dipole.f90.o libxtb.so.6.7.1.p/src_dipro.F90.o libxtb.so.6.7.1.p/src_drsp.f.o libxtb.so.6.7.1.p/src_dtrafo.f90.o libxtb.so.6.7.1.p/src_dynamic.f90.o libxtb.so.6.7.1.p/src_eeq_model.f90.o libxtb.so.6.7.1.p/src_elem.f90.o libxtb.so.6.7.1.p/src_embedding.f90.o libxtb.so.6.7.1.p/src_enso_printout.f90.o libxtb.so.6.7.1.p/src_eqrot.f90.o libxtb.so.6.7.1.p/src_esp.f.o libxtb.so.6.7.1.p/src_expire.f90.o libxtb.so.6.7.1.p/src_features.F90.o libxtb.so.6.7.1.p/src_filetools.F90.o libxtb.so.6.7.1.p/src_fixparam.f90.o libxtb.so.6.7.1.p/src_foden.f90.o libxtb.so.6.7.1.p/src_fragment.f90.o libxtb.so.6.7.1.p/src_generate_wsc.f90.o libxtb.so.6.7.1.p/src_geoopt_driver.f90.o libxtb.so.6.7.1.p/src_geosum.f90.o libxtb.so.6.7.1.p/src_getkopt.f90.o libxtb.so.6.7.1.p/src_getname.f90.o libxtb.so.6.7.1.p/src_getsymnum.f90.o libxtb.so.6.7.1.p/src_gfn0param.f90.o libxtb.so.6.7.1.p/src_gfn_paramset.f90.o libxtb.so.6.7.1.p/src_gfn_prparam.f90.o libxtb.so.6.7.1.p/src_grad_core.f90.o libxtb.so.6.7.1.p/src_header.f90.o libxtb.so.6.7.1.p/src_hessian.F90.o libxtb.so.6.7.1.p/src_hlex.f90.o libxtb.so.6.7.1.p/src_ifind.f90.o libxtb.so.6.7.1.p/src_iniq.f90.o libxtb.so.6.7.1.p/src_intgrad.f90.o libxtb.so.6.7.1.p/src_intmodes.f90.o libxtb.so.6.7.1.p/src_intpack.f90.o libxtb.so.6.7.1.p/src_lidep.f90.o libxtb.so.6.7.1.p/src_lindh.f90.o libxtb.so.6.7.1.p/src_lin.f90.o libxtb.so.6.7.1.p/src_lin_mod.f90.o libxtb.so.6.7.1.p/src_local.f90.o libxtb.so.6.7.1.p/src_locmode.f90.o libxtb.so.6.7.1.p/src_lopt.f90.o libxtb.so.6.7.1.p/src_ls_rmsd.f90.o libxtb.so.6.7.1.p/src_makel.f90.o libxtb.so.6.7.1.p/src_matinv.f90.o libxtb.so.6.7.1.p/src_mdoptim.f90.o libxtb.so.6.7.1.p/src_metadynamic.f90.o libxtb.so.6.7.1.p/src_modef.f90.o libxtb.so.6.7.1.p/src_model_hessian.f90.o libxtb.so.6.7.1.p/src_neighbor.f90.o libxtb.so.6.7.1.p/src_onetri.f90.o libxtb.so.6.7.1.p/src_oniom.f90.o libxtb.so.6.7.1.p/src_optimizer.f90.o libxtb.so.6.7.1.p/src_pbc.f90.o libxtb.so.6.7.1.p/src_pbc_tools.f90.o libxtb.so.6.7.1.p/src_peeq_module.f90.o libxtb.so.6.7.1.p/src_pocketscan.f90.o libxtb.so.6.7.1.p/src_pqn.f90.o libxtb.so.6.7.1.p/src_printmold.f90.o libxtb.so.6.7.1.p/src_printout.f90.o libxtb.so.6.7.1.p/src_prmat.f90.o libxtb.so.6.7.1.p/src_pseudodiag.f90.o libxtb.so.6.7.1.p/src_qpot.f90.o libxtb.so.6.7.1.p/src_qsort.f90.o libxtb.so.6.7.1.p/src_rdcoord2.f90.o libxtb.so.6.7.1.p/src_read_gfn_param.f90.o libxtb.so.6.7.1.p/src_readin.f90.o libxtb.so.6.7.1.p/src_readl2.f90.o libxtb.so.6.7.1.p/src_readl.f90.o libxtb.so.6.7.1.p/src_relaxation_engine.f90.o libxtb.so.6.7.1.p/src_restart.f90.o libxtb.so.6.7.1.p/src_rmrottr.f90.o libxtb.so.6.7.1.p/src_rmsd.f90.o libxtb.so.6.7.1.p/src_scan_driver.f90.o libxtb.so.6.7.1.p/src_scanparam.f90.o libxtb.so.6.7.1.p/src_scc_core.f90.o libxtb.so.6.7.1.p/src_scf_module.F90.o libxtb.so.6.7.1.p/src_screening.f90.o libxtb.so.6.7.1.p/src_set_module.f90.o libxtb.so.6.7.1.p/src_setparam.f90.o libxtb.so.6.7.1.p/src_shake_module.f90.o libxtb.so.6.7.1.p/src_shiftlp.f90.o libxtb.so.6.7.1.p/src_single.f90.o libxtb.so.6.7.1.p/src_slater.f90.o libxtb.so.6.7.1.p/src_sphereparam.f90.o libxtb.so.6.7.1.p/src_spline2.f90.o libxtb.so.6.7.1.p/src_spline3.f90.o libxtb.so.6.7.1.p/src_splitparam.f90.o libxtb.so.6.7.1.p/src_stm.f.o libxtb.so.6.7.1.p/src_surfac.f.o libxtb.so.6.7.1.p/src_thermo.f90.o libxtb.so.6.7.1.p/src_timing.f90.o libxtb.so.6.7.1.p/src_topology.f90.o libxtb.so.6.7.1.p/src_vertical.f90.o libxtb.so.6.7.1.p/src_wrbas.f90.o libxtb.so.6.7.1.p/src_wrgbw.f90.o libxtb.so.6.7.1.p/src_wrmodef.f90.o libxtb.so.6.7.1.p/src_wrmo.f90.o libxtb.so.6.7.1.p/src_xhelp.f90.o libxtb.so.6.7.1.p/src_zmatpr.f90.o libxtb.so.6.7.1.p/symmetry_symmetry.f90.o libxtb.so.6.7.1.p/symmetry_symmetry_i.c.o + /usr/bin/meson compile -C redhat-linux-build -j 5 --verbose ninja: Entering directory `/builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build' [1/48] gcc -Ilibxtb.a.p -Itest/api/xtb_c_test.p -Itest/api -I../test/api -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 [2/48] /usr/bin/meson --internal depscan xtb.p/depscan.json xtb.p/xtb.dat [3/48] /usr/bin/meson --internal depscan libxtb.a.p/depscan.json libxtb.a.p/xtb.dat [4/48] /usr/bin/meson --internal depscan test/unit/tester.p/depscan.json test/unit/tester.p/tester.dat [5/48] /usr/bin/meson --internal depaccumulate xtb.p/depscan.dd xtb.p/depscan.json libxtb.a.p/depscan.json [6/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_submodules.f90.o -c ../src/prog/submodules.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [7/48] /usr/bin/meson --internal depaccumulate test/unit/tester.p/depscan.dd test/unit/tester.p/depscan.json libxtb.a.p/depscan.json [8/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_argparser.f90.o -c ../src/prog/argparser.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [9/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_atomlist.f90.o -c ../test/unit/test_atomlist.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_atomlist.f90:108:28: 108 | integer, allocatable :: list(:) | 1~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:93:37: 93 | character(len=:), allocatable :: string | 1~~~~~ Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:82:28: 82 | integer, allocatable :: list(:) | 1~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:81:37: 81 | character(len=:), allocatable :: string | 1~~~~~ Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:70:28: 70 | integer, allocatable :: list(:) | 1~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:69:37: 69 | character(len=:), allocatable :: string | 1~~~~~ Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:57:28: 57 | integer, allocatable :: list(:) | 1~~~~~~ Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:56:37: 56 | character(len=:), allocatable :: string | 1~~~~~ Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] [10/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_info.f90.o -c ../src/prog/info.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [11/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/molstock.f90.o -c ../test/unit/molstock.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [12/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_irmod.f90.o -c ../src/prog/irmod.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prog/irmod.f90:23:7: 23 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/irmod.f90: In function ‘__xtb_prog_ir_MOD_xtbir’: ../src/prog/irmod.f90:111:25: warning: ‘.born’ may be used uninitialized [-Wmaybe-uninitialized] 111 | call reader%open(born) | ^ ../src/prog/irmod.f90:240:21: note: ‘.born’ was declared here 240 | end subroutine preigf | ^ [13/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_thermo.f90.o -c ../src/prog/thermo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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] [14/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_topology.f90.o -c ../src/prog/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:149:43: 149 | character(len=:), allocatable :: flag, sec | 1~~ Warning: Unused variable ‘sec’ declared at (1) [-Wunused-variable] [15/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_ptb.F90.o -c ../test/unit/test_ptb.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] [16/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_dock.f90.o -c ../src/prog/dock.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/prog/dock.f90:31:7: 31 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/dock.f90:175:17: 175 | molA%uhf = uhf(1) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/prog/dock.f90:176:17: 176 | molB%uhf = uhf(2) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/prog/dock.f90:1047:34: 1047 | subroutine get_attractive_pot(env,comb) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/prog/dock.f90:1003:33: 1003 | subroutine get_repulsive_pot(env,xyz,comb) | 1~~ Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/prog/dock.f90:959:18: 959 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:954:18: 954 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:956:18: 956 | integer :: ic | 1~ Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:957:18: 957 | integer :: ie | 1~ Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:950:39: 950 | character(len=:),allocatable :: key | 1~~ Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:952:39: 952 | character(len=:),allocatable :: newname | 1~~~~~~ Warning: Unused variable ‘newname’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:951:39: 951 | character(len=:),allocatable :: val | 1~~ Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:873:18: 873 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:866:18: 866 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:868:18: 868 | integer :: ic | 1~ Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:869:18: 869 | integer :: ie | 1~ Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:861:40: 861 | character(len=:), allocatable :: key | 1~~ Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:862:40: 862 | character(len=:), allocatable :: val | 1~~ Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:338:26: 338 | integer :: nFlags, idum | 1~~~ Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:103:22: 103 | real(wp) :: e, dum, xx(10), zeffqmdff(86) ! various | 1~~ Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:95:42: 95 | integer :: nFiles, ftypeA, ftypeB, ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:106:21: 106 | integer :: i, j, k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:106:24: 106 | integer :: i, j, k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:103:27: 103 | real(wp) :: e, dum, xx(10), zeffqmdff(86) ! various | 1~~~~~ Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:103:35: 103 | real(wp) :: e, dum, xx(10), zeffqmdff(86) ! various | 1~~~~~~~~~~~~ Warning: Unused variable ‘zeffqmdff’ declared at (1) [-Wunused-variable] [17/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_coordinationnumber.f90.o -c ../test/unit/test_coordinationnumber.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [18/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_main.F90.o -c ../src/prog/main.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] ../src/prog/main.F90:22:7: 22 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/main.F90:1336:24: 1336 | integer :: idum, ndum | 1~~~ Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:127:31: 127 | type(chrg_parameter) :: chrgeq | 1~~~~~ Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:203:23: 203 | logical :: epr, diff, murks | 1~~~ Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:193:19: 193 | real(wp) :: dum5, egap, etot, ipeashift | 1~~~ Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:165:32: 165 | real(wp), allocatable :: dumdumdum(:, :, :) | 1~~~~~~~~~~~~~~~~~ Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:203:18: 203 | logical :: epr, diff, murks | 1~~ Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:202:18: 202 | logical :: ex, okbas | 1~ Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:209:18: 209 | logical :: exitRun | 1~~~~~~ Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:194:48: 194 | real(wp) :: zero, t0, t1, w0, w1, etot2, g298 | 1~~~ Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:162:30: 162 | type(TxTBParameter) :: globpar | 1~~~~~~ Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:207:18: 207 | logical :: newreader | 1~~~~~~~~ Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:214:18: 214 | integer :: nproc | 1~~~~ Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:202:22: 202 | logical :: ex, okbas | 1~~~~ Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:213:23: 213 | 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.F90:213:44: 213 | 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.F90:166:32: 166 | real(wp), allocatable :: q(:) | 1~~~ Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:167:32: 167 | real(wp), allocatable :: ql(:) | 1~~~~ Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:168:32: 168 | real(wp), allocatable :: qr(:) | 1~~~~ Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:194:25: 194 | real(wp) :: zero, t0, t1, w0, w1, etot2, g298 | 1~ Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:194:29: 194 | real(wp) :: zero, t0, t1, w0, w1, etot2, g298 | 1~ Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:213:18: 213 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1~~ Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:194:33: 194 | real(wp) :: zero, t0, t1, w0, w1, etot2, g298 | 1~ Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:194:37: 194 | real(wp) :: zero, t0, t1, w0, w1, 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.F90:910:48: warning: ‘ip’ may be used uninitialized [-Wmaybe-uninitialized] 910 | vomega = (ip + ea)**2 / (8 * (ip - ea)) | ^ ../src/prog/main.F90:196:23: note: ‘ip’ was declared here 196 | real(wp) :: ea, ip | ^~ [19/48] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_primary.f90.o -c ../src/prog/primary.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [20/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_dftd3.f90.o -c ../test/unit/test_dftd3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_dftd3.f90:664:24: 664 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:661:42: 661 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1~~~~~~~~~~~ Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:488:24: 488 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:485:42: 485 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1~~~~~~~~~~~ Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:298:24: 298 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:295:42: 295 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1~~~~~~~~~~~ Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:113:24: 113 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] [21/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_docking.f90.o -c ../test/unit/test_docking.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_docking.f90:67:15: 67 | integer :: at(n) | 1~~~~ Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../test/unit/test_docking.f90:73:37: 73 | type(TMolecule) :: molA,molB,comb | 1~~~ Warning: Unused variable ‘comb’ declared at (1) [-Wunused-variable] ../test/unit/test_docking.f90:79:16: 79 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_docking.f90:75:18: 75 | integer :: i, j, k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../test/unit/test_docking.f90:75:21: 75 | integer :: i, j, k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../test/unit/test_docking.f90:68:16: 68 | real(wp) :: xyz(3,n) | 1~~~~~~~ Warning: Unused variable ‘xyz’ declared at (1) [-Wunused-variable] [22/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_dftd4.f90.o -c ../test/unit/test_dftd4.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_dftd4.f90:741:48: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1~~~~~~~~~~ Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:741:35: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1~~~~~~~~~~ Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:733:24: 733 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:741:29: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1~~~ Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:730:42: 730 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1~~~~~~~~~~~ Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:48: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1~~~~~~~~~~ Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:35: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1~~~~~~~~~~ Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:550:24: 550 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:29: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1~~~ Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:547:42: 547 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1~~~~~~~~~~~ Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:335:24: 335 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:332:42: 332 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1~~~~~~~~~~~ Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:120:24: 120 | real(wp) :: er, el, eps(3, 3) | 1~~~~~~~~ Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] [23/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_eeq.f90.o -c ../test/unit/test_eeq.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_eeq.f90:554:28: 554 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1~~~~~~~ Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:554:37: 554 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1~~~~~ Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:185:15: 185 | logical :: exitRun | 1~~~~~~ Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:77:15: 77 | logical :: exitRun | 1~~~~~~ Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [24/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_gfn0.f90.o -c ../test/unit/test_gfn0.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn0.f90:102:34: 102 | logical :: okpar,okbas,exist,diff | 1~~~ Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [25/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_coulomb.f90.o -c ../test/unit/test_coulomb.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_coulomb.f90:1507:15: 1507 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:1335:15: 1335 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:1174:15: 1174 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:895:15: 895 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:697:15: 697 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:437:15: 437 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:263:15: 263 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:94:15: 94 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [26/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_gfn1.f90.o -c ../test/unit/test_gfn1.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn1.f90:795:15: 795 | integer :: iMol | 1~~~ Warning: Unused variable ‘imol’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:535:26: 535 | type(tb_pcem) :: pcem | 1~~~ Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:543:16: 543 | real(wp) :: stress(3,3) | 1~~~~~~~~~~ Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:100:28: 100 | logical :: okpar,okbas,diff,exitRun | 1~~~ Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [27/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_hessian.f90.o -c ../test/unit/test_hessian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [28/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_iff.f90.o -c ../test/unit/test_iff.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [29/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_latticepoint.f90.o -c ../test/unit/test_latticepoint.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [30/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_gfn2.f90.o -c ../test/unit/test_gfn2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn2.f90:1014:15: 1014 | integer :: iMol | 1~~~ Warning: Unused variable ‘imol’ declared at (1) [-Wunused-variable] [31/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_molecule.f90.o -c ../test/unit/test_molecule.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [32/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_dipro.f90.o -c ../test/unit/test_dipro.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [33/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_pbc_tools.f90.o -c ../test/unit/test_pbc_tools.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [34/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_gfnff.f90.o -c ../test/unit/test_gfnff.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfnff.f90:261:16: 261 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:258:36: 258 | character(len=:),allocatable :: fnv | 1~~ Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:259:16: 259 | integer :: ipar | 1~~~ Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:176:16: 176 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:173:36: 173 | character(len=:),allocatable :: fnv | 1~~ Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:174:16: 174 | integer :: ipar | 1~~~ Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:94:16: 94 | logical :: exist | 1~~~~ Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:90:36: 90 | character(len=:),allocatable :: fnv | 1~~ Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:91:16: 91 | integer :: ipar | 1~~~ Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90: In function ‘__test_gfnff_MOD_test_gfnff_pbc’: ../test/unit/test_gfnff.f90:692:23: warning: ‘mol.sym.offset’ is used uninitialized [-Wuninitialized] 692 | type(TMolecule) :: mol | ^~~ ../test/unit/test_gfnff.f90:692:23: note: ‘mol’ declared here 692 | type(TMolecule) :: mol | ^~~ ../test/unit/test_gfnff.f90:692:23: warning: ‘mol’ is used uninitialized [-Wuninitialized] 692 | type(TMolecule) :: mol | ^~~ ../test/unit/test_gfnff.f90:692:23: note: ‘mol’ declared here 692 | type(TMolecule) :: mol | ^~~ [35/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_oniom.f90.o -c ../test/unit/test_oniom.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_oniom.f90:282:28: 282 | integer,allocatable :: idx_orig(:) | 1~~~~~~~~~~ Warning: Unused variable ‘idx_orig’ declared at (1) [-Wunused-variable] ../test/unit/test_oniom.f90:275:29: 275 | type(TMolecule) :: mol, inner_mol | 1~~~~~~~~ Warning: Unused variable ‘inner_mol’ declared at (1) [-Wunused-variable] ../test/unit/test_oniom.f90:281:28: 281 | real(wp),allocatable :: jacobian(:,:) | 1~~~~~~~~~~~~ Warning: Unused variable ‘jacobian’ declared at (1) [-Wunused-variable] [36/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_symmetry.f90.o -c ../test/unit/test_symmetry.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [37/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_repulsion.f90.o -c ../test/unit/test_repulsion.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_repulsion.f90:218:15: 218 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_repulsion.f90:86:15: 86 | logical :: fail | 1~~~ Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [38/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_peeq.f90.o -c ../test/unit/test_peeq.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: 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.f90:110:22: 110 | logical :: okbas,diff | 1~~~ Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [39/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_tblite.f90.o -c ../test/unit/test_tblite.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_tblite.f90:238:1: 238 | subroutine test_gfn1_mindless_basic(error) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: ‘test_gfn1_mindless_basic’ defined but not used [-Wunused-function] [40/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_thermo.f90.o -c ../test/unit/test_thermo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_thermo.f90:242:16: 242 | real(wp) :: etot, htot, gtot | 1~~~ Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] ../test/unit/test_thermo.f90:71:26: 71 | real(wp) :: eval3(3), coord3(3,nat) | 1~~~~~~~~~~~~ Warning: Unused variable ‘coord3’ declared at (1) [-Wunused-variable] ../test/unit/test_thermo.f90:71:16: 71 | real(wp) :: eval3(3), coord3(3,nat) | 1~~~~~~~ Warning: Unused variable ‘eval3’ declared at (1) [-Wunused-variable] [41/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_wsc.f90.o -c ../test/unit/test_wsc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [42/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_vertical.f90.o -c ../test/unit/test_vertical.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [43/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/test_cpx.f90.o -c ../test/unit/test_cpx.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_cpx.f90:39:35: 39 | type(err_type), allocatable :: err | 1~~ Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../test/unit/test_cpx.f90:69:15: 69 | integer :: ich | 1~~ Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [44/48] gfortran -Ilibxtb.a.p -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.7.1.p -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/include/test-drive/GNU-15.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jtest/unit/tester.p -o test/unit/tester.p/main.f90.o -c ../test/unit/main.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/modules’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/multicharge/gcc-15.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/dftd4/gcc-15.2.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-15.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [45/48] 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/15 -L/usr/lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../.. -L/lib -Wl,--as-needed -Wl,--no-undefined -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so /usr/lib64/libmulticharge.so /usr/lib64/libdftd4.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:15: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:1: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:1: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:1: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [46/48] gfortran -o libxtb.so.6.7.1 libxtb.so.6.7.1.p/src_api_calculator.f90.o libxtb.so.6.7.1.p/src_api_environment.f90.o libxtb.so.6.7.1.p/src_api_molecule.f90.o libxtb.so.6.7.1.p/src_api_interface.f90.o libxtb.so.6.7.1.p/src_api_results.f90.o libxtb.so.6.7.1.p/src_api_utils.f90.o libxtb.so.6.7.1.p/src_api_version.f90.o libxtb.so.6.7.1.p/src_coulomb_ewald.f90.o libxtb.so.6.7.1.p/src_coulomb_gaussian.f90.o libxtb.so.6.7.1.p/src_coulomb_klopmanohno.f90.o libxtb.so.6.7.1.p/src_dipro_bondorder.F90.o libxtb.so.6.7.1.p/src_dipro_fragment.f90.o libxtb.so.6.7.1.p/src_dipro_version.f90.o libxtb.so.6.7.1.p/src_dipro_xtb.F90.o libxtb.so.6.7.1.p/src_dipro_output.f90.o libxtb.so.6.7.1.p/src_disp_coordinationnumber.f90.o libxtb.so.6.7.1.p/src_disp_dftd3.f.o libxtb.so.6.7.1.p/src_disp_dftd3.f90.o libxtb.so.6.7.1.p/src_disp_dftd3_parameters.f90.o libxtb.so.6.7.1.p/src_disp_dftd4.F90.o libxtb.so.6.7.1.p/src_disp_dftd4_parameters.f90.o libxtb.so.6.7.1.p/src_disp_encharges.f90.o libxtb.so.6.7.1.p/src_disp_ncoord.f90.o libxtb.so.6.7.1.p/src_docking_search_nci.f90.o libxtb.so.6.7.1.p/src_docking_param.f90.o libxtb.so.6.7.1.p/src_docking_set_module.f90.o libxtb.so.6.7.1.p/src_extern_driver.f90.o libxtb.so.6.7.1.p/src_extern_mopac.f90.o libxtb.so.6.7.1.p/src_extern_orca.f90.o libxtb.so.6.7.1.p/src_extern_turbomole.f90.o libxtb.so.6.7.1.p/src_freq_io.f90.o libxtb.so.6.7.1.p/src_freq_project.f90.o libxtb.so.6.7.1.p/src_freq_utils.f90.o libxtb.so.6.7.1.p/src_gfnff_calculator.f90.o libxtb.so.6.7.1.p/src_gfnff_data.f90.o libxtb.so.6.7.1.p/src_gfnff_frag_hess.f90.o libxtb.so.6.7.1.p/src_gfnff_gdisp0.f90.o libxtb.so.6.7.1.p/src_gfnff_generator.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_eg.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_ini.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_ini2.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_param.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_qm.f90.o libxtb.so.6.7.1.p/src_gfnff_gfnff_rab.f.o libxtb.so.6.7.1.p/src_gfnff_gfnff_setup.f90.o libxtb.so.6.7.1.p/src_gfnff_math.f.o libxtb.so.6.7.1.p/src_gfnff_mrec.f90.o libxtb.so.6.7.1.p/src_gfnff_neighbourlist.f90.o libxtb.so.6.7.1.p/src_gfnff_shake_module.f90.o libxtb.so.6.7.1.p/src_gfnff_struc_converter.f90.o libxtb.so.6.7.1.p/src_gfnff_topology.f90.o libxtb.so.6.7.1.p/src_gfnff_neighbor.f90.o libxtb.so.6.7.1.p/src_io_reader_genformat.f90.o libxtb.so.6.7.1.p/src_io_reader_orca.f90.o libxtb.so.6.7.1.p/src_io_reader_turbomole.f90.o libxtb.so.6.7.1.p/src_io_writer_gaussian.f90.o libxtb.so.6.7.1.p/src_io_writer_orca.f90.o libxtb.so.6.7.1.p/src_io_writer_turbomole.f90.o libxtb.so.6.7.1.p/src_io_reader.f90.o libxtb.so.6.7.1.p/src_io_writer.f90.o libxtb.so.6.7.1.p/src_iff_calculator.f90.o libxtb.so.6.7.1.p/src_iff_data.f90.o libxtb.so.6.7.1.p/src_iff_iff_energy.f90.o libxtb.so.6.7.1.p/src_iff_iff_ini.f90.o libxtb.so.6.7.1.p/src_iff_iff_lmo.f90.o libxtb.so.6.7.1.p/src_iff_iff_prepare.f90.o libxtb.so.6.7.1.p/src_main_defaults.f90.o libxtb.so.6.7.1.p/src_main_geometry.f90.o libxtb.so.6.7.1.p/src_main_json.F90.o libxtb.so.6.7.1.p/src_main_property.F90.o libxtb.so.6.7.1.p/src_main_setup.f90.o libxtb.so.6.7.1.p/src_mctc_blas_level1.F90.o libxtb.so.6.7.1.p/src_mctc_blas_level2.F90.o libxtb.so.6.7.1.p/src_mctc_blas_level3.F90.o libxtb.so.6.7.1.p/src_mctc_blas_wrap1.f90.o libxtb.so.6.7.1.p/src_mctc_blas_wrap2.f90.o libxtb.so.6.7.1.p/src_mctc_blas_wrap3.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_eigensolve.F90.o libxtb.so.6.7.1.p/src_mctc_lapack_geneigval.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_gst.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_stdeigval.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_trf.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_tri.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_trs.f90.o libxtb.so.6.7.1.p/src_mctc_lapack_wrap.f90.o libxtb.so.6.7.1.p/src_mctc_accuracy.f90.o libxtb.so.6.7.1.p/src_mctc_boundaryconditions.f90.o 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libxtb.so.6.7.1.p/src_shake_module.f90.o libxtb.so.6.7.1.p/src_shiftlp.f90.o libxtb.so.6.7.1.p/src_single.f90.o libxtb.so.6.7.1.p/src_slater.f90.o libxtb.so.6.7.1.p/src_sphereparam.f90.o libxtb.so.6.7.1.p/src_spline2.f90.o libxtb.so.6.7.1.p/src_spline3.f90.o libxtb.so.6.7.1.p/src_splitparam.f90.o libxtb.so.6.7.1.p/src_stm.f.o libxtb.so.6.7.1.p/src_surfac.f.o libxtb.so.6.7.1.p/src_thermo.f90.o libxtb.so.6.7.1.p/src_timing.f90.o libxtb.so.6.7.1.p/src_topology.f90.o libxtb.so.6.7.1.p/src_vertical.f90.o libxtb.so.6.7.1.p/src_wrbas.f90.o libxtb.so.6.7.1.p/src_wrgbw.f90.o libxtb.so.6.7.1.p/src_wrmodef.f90.o libxtb.so.6.7.1.p/src_wrmo.f90.o libxtb.so.6.7.1.p/src_xhelp.f90.o libxtb.so.6.7.1.p/src_zmatpr.f90.o libxtb.so.6.7.1.p/symmetry_symmetry.f90.o libxtb.so.6.7.1.p/symmetry_symmetry_i.c.o -L/usr/lib/gcc/ppc64le-redhat-linux/15 -L/usr/lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../.. -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -shared -fPIC -Wl,-soname,libxtb.so.6 -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so /usr/lib64/libmulticharge.so /usr/lib64/libdftd4.so -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:15: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:1: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:1: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:1: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [47/48] gfortran -o test/unit/tester test/unit/tester.p/main.f90.o test/unit/tester.p/molstock.f90.o test/unit/tester.p/test_ptb.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_docking.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_iff.f90.o test/unit/tester.p/test_latticepoint.f90.o test/unit/tester.p/test_molecule.f90.o test/unit/tester.p/test_oniom.f90.o test/unit/tester.p/test_dipro.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_tblite.f90.o test/unit/tester.p/test_thermo.f90.o test/unit/tester.p/test_vertical.f90.o test/unit/tester.p/test_wsc.f90.o test/unit/tester.p/test_cpx.f90.o -L/usr/lib/gcc/ppc64le-redhat-linux/15 -L/usr/lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../.. -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so /usr/lib64/libmulticharge.so /usr/lib64/libdftd4.so /usr/lib64/libtest-drive.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:15: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:1: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:1: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:1: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [48/48] gfortran -o xtb xtb.p/src_prog_argparser.f90.o xtb.p/src_prog_dock.f90.o xtb.p/src_prog_info.f90.o xtb.p/src_prog_irmod.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/15 -L/usr/lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib -L/usr/lib/gcc/ppc64le-redhat-linux/15/../../.. -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so /usr/lib64/libmulticharge.so /usr/lib64/libdftd4.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:15: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:1: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:1: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:1: 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-6.7.1-build/xtb-6.7.1/redhat-linux-build -j 5 -v + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.cPddL0 + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + '[' /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT '!=' / ']' + rm -rf /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT ++ dirname /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT + mkdir -p /builddir/build/BUILD/xtb-6.7.1-build + mkdir /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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-6.7.1 + DESTDIR=/builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT + /usr/bin/meson install -C redhat-linux-build --no-rebuild Installing libxtb.so.6.7.1 to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib64 Installing libxtb.a to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib64 Installing xtb to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/bin Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/include/xtb.h to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/include Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build/xtb.1 to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/man/man1 Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build/xcontrol.7 to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/man/man7 Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/param_gfn0-xtb.txt to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/param_gfn2-xtb.txt to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/param_gfn1-xtb.txt to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/param_gfn1-si-xtb.txt to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/param_ipea-xtb.txt to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/.param_gfnff.xtb to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build/assets/config_env.bash to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build/assets/config_env.csh to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build/assets/xtb.pc to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib64/pkgconfig Installing /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build/assets/xtb.tcl to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/modules/modulefiles/xtb Installing symlink pointing to libxtb.so.6.7.1 to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib64/libxtb.so.6 Installing symlink pointing to libxtb.so.6 to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib64/libxtb.so + rm /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib64/libxtb.a + rm -rf /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/modules + mkdir -p /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/etc/profile.d + cat + cat + /usr/bin/find-debuginfo -j5 --strict-build-id -m -i --build-id-seed 6.7.1-5.fc44 --unique-debug-suffix -6.7.1-5.fc44.ppc64le --unique-debug-src-base xtb-6.7.1-5.fc44.ppc64le --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1 find-debuginfo: starting Extracting debug info from 2 files DWARF-compressing 2 files sepdebugcrcfix: Updated 2 CRC32s, 0 CRC32s did match. Creating .debug symlinks for symlinks to ELF files Copying sources found by 'debugedit -l' to /usr/src/debug/xtb-6.7.1-5.fc44.ppc64le 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_cosmo.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_cosmo_inf.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 find-debuginfo: done + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/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-rpm-in-distinfo + env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j5 + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/bin/add-det --brp -j5 /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT Scanned 51 directories and 363 files, processed 2 inodes, 0 modified (0 replaced + 0 rewritten), 0 unsupported format, 0 errors Reading /builddir/build/BUILD/xtb-6.7.1-build/SPECPARTS/rpm-debuginfo.specpart Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.TaAAF9 + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -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 -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-hardened-ld-errors -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-6.7.1 ++ hostname + export HOSTNAME=f84df6ff9e8e4303924b8b3a9e8492ce + HOSTNAME=f84df6ff9e8e4303924b8b3a9e8492ce + 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: Entering directory `/builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build' ninja: no work to do. 1/33 xtb:unit / atomlist OK 0.02s 2/33 xtb / C API OK 0.10s 3/33 xtb:unit / coordinationnumber OK 0.14s 4/33 xtb:unit / eeq OK 0.11s 5/33 xtb:unit / docking OK 0.23s 6/33 xtb:unit / gfn0 OK 0.45s 7/33 xtb:unit / coulomb OK 1.25s 8/33 xtb:unit / dftd4 OK 2.08s 9/33 xtb:unit / dftd3 OK 2.12s 10/33 xtb:unit / hessian OK 0.05s 11/33 xtb:unit / latticepoint OK 0.01s 12/33 xtb:unit / molecule OK 0.02s 13/33 xtb:unit / oniom OK 0.06s 14/33 xtb:unit / dipro OK 0.02s 15/33 xtb:unit / pbc-tools OK 0.01s 16/33 xtb:unit / iff OK 0.24s 17/33 xtb:unit / peeq OK 0.19s 18/33 xtb:unit / symmetry OK 0.11s 19/33 xtb:unit / tblite OK 0.01s 20/33 xtb:unit / thermo OK 0.01s 21/33 xtb:unit / vertical OK 0.05s 22/33 xtb:unit / wsc OK 0.01s 23/33 xtb:unit / cpx OK 0.01s 24/33 xtb:unit / ptb OK 0.01s 25/33 xtb / Argparser print version OK 0.01s 26/33 xtb / Argparser print help OK 0.02s 27/33 xtb / Argparser print license OK 0.01s 28/33 xtb / Argparser no arguments EXPECTEDFAIL 0.12s exit status 1 29/33 xtb / Info OK 0.02s 30/33 xtb:unit / repulsion OK 0.57s 31/33 xtb:unit / gfn1 OK 4.00s 32/33 xtb:unit / gfn2 OK 3.70s 33/33 xtb:unit / gfnff OK 10.07s Ok: 32 Expected Fail: 1 Fail: 0 Full log written to /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/redhat-linux-build/meson-logs/testlog.txt + RPM_EC=0 ++ jobs -p + exit 0 Processing files: xtb-6.7.1-5.fc44.ppc64le Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.XwEYFP + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + cd xtb-6.7.1 + DOCDIR=/builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/doc/xtb + export LC_ALL=C.UTF-8 + LC_ALL=C.UTF-8 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/doc/xtb + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/README.md /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/doc/xtb + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/CONTRIBUTING.md /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/doc/xtb + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.Zp4j66 + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + cd xtb-6.7.1 + LICENSEDIR=/builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb + export LC_ALL=C.UTF-8 + LC_ALL=C.UTF-8 + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/COPYING /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/COPYING.LESSER /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/README.md /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb + RPM_EC=0 ++ jobs -p + exit 0 Provides: xtb = 6.7.1-5.fc44 xtb(ppc-64) = 6.7.1-5.fc44 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) libc.so.6(GLIBC_ABI_DT_RELR)(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-6.7.1-5.fc44.noarch Provides: xtb-data = 6.7.1-5.fc44 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: xtb-libs-6.7.1-5.fc44.ppc64le Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.MLGqZM + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + cd xtb-6.7.1 + LICENSEDIR=/builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb-libs + export LC_ALL=C.UTF-8 + LC_ALL=C.UTF-8 + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb-libs + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/COPYING /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb-libs + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/COPYING.LESSER /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb-libs + cp -pr /builddir/build/BUILD/xtb-6.7.1-build/xtb-6.7.1/README.md /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/share/licenses/xtb-libs + RPM_EC=0 ++ jobs -p + exit 0 Provides: libxtb.so.6()(64bit) xtb-libs = 6.7.1-5.fc44 xtb-libs(ppc-64) = 6.7.1-5.fc44 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_ABI_DT_RELR)(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) libm.so.6(GLIBC_2.38)(64bit) libmctc-lib.so.0()(64bit) rtld(GNU_HASH) Processing files: xtb-devel-6.7.1-5.fc44.ppc64le Provides: pkgconfig(xtb) = 6.7.1 xtb-devel = 6.7.1-5.fc44 xtb-devel(ppc-64) = 6.7.1-5.fc44 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-6.7.1-5.fc44.ppc64le Provides: xtb-debugsource = 6.7.1-5.fc44 xtb-debugsource(ppc-64) = 6.7.1-5.fc44 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: xtb-debuginfo-6.7.1-5.fc44.ppc64le Provides: debuginfo(build-id) = 070a0e35db67157e68158b5945b2079ac6f44891 xtb-debuginfo = 6.7.1-5.fc44 xtb-debuginfo(ppc-64) = 6.7.1-5.fc44 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: xtb-debugsource(ppc-64) = 6.7.1-5.fc44 Processing files: xtb-libs-debuginfo-6.7.1-5.fc44.ppc64le Provides: debuginfo(build-id) = 69a948061024b9ae0c5e2968c81a4e1941e04657 libxtb.so.6.7.1-6.7.1-5.fc44.ppc64le.debug()(64bit) xtb-libs-debuginfo = 6.7.1-5.fc44 xtb-libs-debuginfo(ppc-64) = 6.7.1-5.fc44 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: xtb-debugsource(ppc-64) = 6.7.1-5.fc44 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT Wrote: /builddir/build/RPMS/xtb-6.7.1-5.fc44.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-data-6.7.1-5.fc44.noarch.rpm Wrote: /builddir/build/RPMS/xtb-devel-6.7.1-5.fc44.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-libs-6.7.1-5.fc44.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-debuginfo-6.7.1-5.fc44.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-libs-debuginfo-6.7.1-5.fc44.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-debugsource-6.7.1-5.fc44.ppc64le.rpm Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.bSPE8B + umask 022 + cd /builddir/build/BUILD/xtb-6.7.1-build + test -d /builddir/build/BUILD/xtb-6.7.1-build + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/xtb-6.7.1-build + rm -rf /builddir/build/BUILD/xtb-6.7.1-build + RPM_EC=0 ++ jobs -p + exit 0 Finish: rpmbuild xtb-6.7.1-5.fc44.src.rpm Finish: build phase for xtb-6.7.1-5.fc44.src.rpm INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-42-ppc64le-1758462720.092472/root/var/log/dnf5.log INFO: chroot_scan: creating tarball /var/lib/copr-rpmbuild/results/chroot_scan.tar.gz /bin/tar: Removing leading `/' from member names INFO: Done(/var/lib/copr-rpmbuild/results/xtb-6.7.1-5.fc44.src.rpm) Config(child) 4 minutes 16 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot Finish: run Running RPMResults tool Package info: { "packages": [ { "name": "xtb-libs", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "ppc64le" }, { "name": "xtb-debugsource", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "ppc64le" }, { "name": "xtb-libs-debuginfo", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "ppc64le" }, { "name": "xtb-debuginfo", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "ppc64le" }, { "name": "xtb", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "ppc64le" }, { "name": "xtb", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "src" }, { "name": "xtb-data", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "noarch" }, { "name": "xtb-devel", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "ppc64le" } ] } RPMResults finished