Warning: Permanently added '54.146.111.80' (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-43-i386 --chroot fedora-43-i386 Version: 1.5 PID: 8782 Logging PID: 8784 Task: {'allow_user_ssh': False, 'appstream': False, 'background': True, 'build_id': 9587409, 'buildroot_pkgs': [], 'chroot': 'fedora-43-i386', '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-43-i386/', '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-43-i386', '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-rc_6gxki/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-rc_6gxki/xtb', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-rc_6gxki/xtb'... Running: git checkout d44daf5b2af668e8f65fc6e5de9362747b343dbe -- cmd: ['git', 'checkout', 'd44daf5b2af668e8f65fc6e5de9362747b343dbe', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-rc_6gxki/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-rc_6gxki/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 109M 0 --:--:-- --:--:-- --:--:-- 114M 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-rc_6gxki/xtb/xtb.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-rc_6gxki/xtb --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1758462718.539132 -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-rc_6gxki/xtb/xtb.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-rc_6gxki/xtb --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1758462718.539132 -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-rc_6gxki/xtb/xtb.spec) Config(fedora-43-i686) 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-43-i686-bootstrap-1758462718.539132/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:43 INFO: Pulling image: registry.fedoraproject.org/fedora:43 INFO: Tagging container image as mock-bootstrap-34330531-7948-49f9-ba68-d5c995db9298 INFO: Checking that a494511fa7acb7bdc6a38f7870fbf4e092ca7525f1517673fcb4ced818282fc7 image matches host's architecture INFO: Copy content of container a494511fa7acb7bdc6a38f7870fbf4e092ca7525f1517673fcb4ced818282fc7 to /var/lib/mock/fedora-43-i686-bootstrap-1758462718.539132/root INFO: mounting a494511fa7acb7bdc6a38f7870fbf4e092ca7525f1517673fcb4ced818282fc7 with podman image mount INFO: image a494511fa7acb7bdc6a38f7870fbf4e092ca7525f1517673fcb4ced818282fc7 as /var/lib/containers/storage/overlay/9951cb9278aa285e47d27c48603af893505a7c843bd9dc18d871ff895230a670/merged INFO: umounting image a494511fa7acb7bdc6a38f7870fbf4e092ca7525f1517673fcb4ced818282fc7 (/var/lib/containers/storage/overlay/9951cb9278aa285e47d27c48603af893505a7c843bd9dc18d871ff895230a670/merged) with podman image umount INFO: Removing image mock-bootstrap-34330531-7948-49f9-ba68-d5c995db9298 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-43-i686-1758462718.539132/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-5.99.91-5.fc43.x86_64 rpm-sequoia-1.9.0-2.fc43.x86_64 dnf5-5.2.17.0-1.fc43.x86_64 dnf5-plugins-5.2.17.0-1.fc43.x86_64 Start: installing minimal buildroot with dnf5 Updating and loading repositories: Copr repository 100% | 23.1 MiB/s | 2.6 MiB | 00m00s local 100% | 30.0 MiB/s | 12.6 MiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 24.8 MiB/s | 12.5 MiB | 00m01s Repositories loaded. Package Arch Version Repository Size Installing group/module packages: bash i686 5.3.0-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.6 MiB bzip2 i686 1.0.8-21.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 85.6 KiB coreutils i686 9.7-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 5.3 MiB cpio i686 2.15-6.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 MiB diffutils i686 3.12-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 MiB fedora-release noarch 44-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B findutils i686 1:4.10.0-6.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 MiB gawk i686 5.3.2-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.8 MiB glibc-minimal-langpack i686 2.42.9000-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B grep i686 3.12-2.fc43 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http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.3 MiB which i686 2.23-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 78.1 KiB xz i686 1:5.8.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.3 MiB Installing dependencies: add-determinism i686 0.7.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.2 MiB alternatives i686 1.33-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 61.4 KiB ansible-srpm-macros noarch 1-18.1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 35.7 KiB audit-libs i686 4.1.2-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 392.5 KiB binutils i686 2.45.50-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 27.5 MiB build-reproducibility-srpm-macros noarch 0.7.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 KiB bzip2-libs i686 1.0.8-21.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 79.8 KiB ca-certificates noarch 2025.2.80_v9.0.304-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.7 MiB coreutils-common i686 9.7-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11.3 MiB crypto-policies noarch 20250714-5.gitcd6043a.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 146.9 KiB curl i686 8.16.0-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 478.6 KiB cyrus-sasl-lib i686 2.1.28-33.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.5 MiB debugedit i686 5.2-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 218.6 KiB dwz i686 0.16-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 305.0 KiB ed i686 1.22.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 146.8 KiB efi-srpm-macros noarch 6-4.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40.1 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http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.2 KiB file i686 5.46-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 95.2 KiB file-libs i686 5.46-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11.9 MiB filesystem i686 3.18-50.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 94.0 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 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.0 KiB gdb-minimal i686 16.3-6.fc44 copr_base 13.8 MiB gdbm-libs i686 1:1.23-10.fc43 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7.8 MiB p11-kit i686 0.25.8-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.4 MiB p11-kit-trust i686 0.25.8-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 396.5 KiB package-notes-srpm-macros noarch 0.5-14.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 KiB pam-libs i686 1.7.1-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 128.5 KiB pcre2 i686 10.46-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 692.1 KiB pcre2-syntax noarch 10.46-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 275.3 KiB perl-srpm-macros noarch 1-60.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 861.0 B pkgconf i686 2.3.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 82.9 KiB pkgconf-m4 noarch 2.3.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 14.4 KiB pkgconf-pkg-config i686 2.3.0-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 979.0 B policycoreutils i686 3.9-4.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 653.3 KiB popt i686 1.19-9.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 135.8 KiB publicsuffix-list-dafsa noarch 20250616-2.fc43 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 i686 8.3-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 484.0 KiB rpm i686 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.0 MiB rpm-build-libs i686 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 267.1 KiB rpm-libs i686 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 952.8 KiB rpm-plugin-selinux i686 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11.2 KiB rpm-sequoia i686 1.9.0-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.8 MiB rpm-sign-libs i686 5.99.92-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30.9 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 i686 3.50.2-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 MiB systemd-libs i686 258-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB systemd-standalone-sysusers i686 258-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 292.6 KiB tpm2-tss i686 4.1.3-8.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 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 i686 2.41.1-17.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 MiB xxhash-libs i686 0.8.3-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 113.5 KiB xz-libs i686 1:5.8.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 233.2 KiB zig-srpm-macros noarch 1-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 KiB zip i686 3.0-44.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 694.3 KiB zlib-ng-compat i686 2.2.5-2.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 156.9 KiB zstd i686 1.5.7-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB Installing groups: build Transaction Summary: Installing: 176 packages Total size of inbound packages is 67 MiB. Need to download 67 MiB. After this operation, 218 MiB extra will be used (install 218 MiB, remove 0 B). [ 1/176] bzip2-0:1.0.8-21.fc43.i686 100% | 537.0 KiB/s | 52.1 KiB | 00m00s [ 2/176] cpio-0:2.15-6.fc43.i686 100% | 3.8 MiB/s | 291.2 KiB | 00m00s [ 3/176] coreutils-0:9.7-5.fc43.i686 100% | 6.2 MiB/s | 1.2 MiB | 00m00s [ 4/176] fedora-release-0:44-0.2.noarc 100% | 498.4 KiB/s | 14.0 KiB | 00m00s [ 5/176] diffutils-0:3.12-3.fc43.i686 100% | 4.2 MiB/s | 390.2 KiB | 00m00s [ 6/176] findutils-1:4.10.0-6.fc43.i68 100% | 12.2 MiB/s | 548.7 KiB | 00m00s [ 7/176] bash-0:5.3.0-2.fc43.i686 100% | 6.7 MiB/s | 1.9 MiB | 00m00s [ 8/176] glibc-minimal-langpack-0:2.42 100% | 1.7 MiB/s | 45.7 KiB | 00m00s [ 9/176] grep-0:3.12-2.fc43.i686 100% | 10.6 MiB/s | 293.4 KiB | 00m00s [ 10/176] gzip-0:1.14-1.fc44.i686 100% | 6.4 MiB/s | 170.1 KiB | 00m00s [ 11/176] info-0:7.2-6.fc43.i686 100% | 6.7 MiB/s | 186.1 KiB | 00m00s [ 12/176] patch-0:2.8-2.fc43.i686 100% | 4.4 MiB/s | 118.3 KiB | 00m00s [ 13/176] redhat-rpm-config-0:343-13.fc 100% | 2.6 MiB/s | 73.1 KiB | 00m00s [ 14/176] rpm-build-0:5.99.92-2.fc44.i6 100% | 4.7 MiB/s | 128.6 KiB | 00m00s [ 15/176] gawk-0:5.3.2-2.fc43.i686 100% | 8.8 MiB/s | 1.1 MiB | 00m00s [ 16/176] sed-0:4.9-5.fc43.i686 100% | 8.2 MiB/s | 310.2 KiB | 00m00s [ 17/176] shadow-utils-2:4.18.0-3.fc43. 100% | 24.1 MiB/s | 1.2 MiB | 00m00s [ 18/176] unzip-0:6.0-68.fc44.i686 100% | 6.6 MiB/s | 182.4 KiB | 00m00s [ 19/176] tar-2:1.35-6.fc43.i686 100% | 17.2 MiB/s | 865.0 KiB | 00m00s [ 20/176] which-0:2.23-3.fc43.i686 100% | 1.6 MiB/s | 41.8 KiB | 00m00s [ 21/176] xz-1:5.8.1-2.fc43.i686 100% | 18.9 MiB/s | 561.9 KiB | 00m00s [ 22/176] util-linux-0:2.41.1-17.fc44.i 100% | 22.9 MiB/s | 1.2 MiB | 00m00s [ 23/176] fedora-release-common-0:44-0. 100% | 962.8 KiB/s | 25.0 KiB | 00m00s [ 24/176] glibc-common-0:2.42.9000-5.fc 100% | 12.3 MiB/s | 339.4 KiB | 00m00s [ 25/176] rpm-0:5.99.92-2.fc44.i686 100% | 18.6 MiB/s | 534.5 KiB | 00m00s [ 26/176] glibc-0:2.42.9000-5.fc44.i686 100% | 39.3 MiB/s | 2.0 MiB | 00m00s [ 27/176] libblkid-0:2.41.1-17.fc44.i68 100% | 4.7 MiB/s | 135.8 KiB | 00m00s [ 28/176] libfdisk-0:2.41.1-17.fc44.i68 100% | 6.7 MiB/s | 179.5 KiB | 00m00s [ 29/176] liblastlog2-0:2.41.1-17.fc44. 100% | 929.0 KiB/s | 24.2 KiB | 00m00s [ 30/176] libsmartcols-0:2.41.1-17.fc44 100% | 3.3 MiB/s | 87.1 KiB | 00m00s [ 31/176] libuuid-0:2.41.1-17.fc44.i686 100% | 1.1 MiB/s | 28.1 KiB | 00m00s [ 32/176] util-linux-core-0:2.41.1-17.f 100% | 18.0 MiB/s | 551.8 KiB | 00m00s [ 33/176] fedora-repos-0:44-0.1.noarch 100% | 349.0 KiB/s | 9.1 KiB | 00m00s [ 34/176] fedora-gpg-keys-0:44-0.1.noar 100% | 4.6 MiB/s | 127.7 KiB | 00m00s [ 35/176] glibc-gconv-extra-0:2.42.9000 100% | 30.1 MiB/s | 1.6 MiB | 00m00s [ 36/176] fedora-repos-rawhide-0:44-0.1 100% | 332.6 KiB/s | 8.6 KiB | 00m00s [ 37/176] rpm-libs-0:5.99.92-2.fc44.i68 100% | 15.0 MiB/s | 431.0 KiB | 00m00s [ 38/176] rpm-build-libs-0:5.99.92-2.fc 100% | 5.1 MiB/s | 134.9 KiB | 00m00s [ 39/176] rpm-sign-libs-0:5.99.92-2.fc4 100% | 1.1 MiB/s | 28.7 KiB | 00m00s [ 40/176] xz-libs-1:5.8.1-2.fc43.i686 100% | 4.6 MiB/s | 123.7 KiB | 00m00s [ 41/176] filesystem-0:3.18-50.fc43.i68 100% | 34.6 MiB/s | 1.3 MiB | 00m00s [ 42/176] libgcc-0:15.2.1-1.fc44.1.i686 100% | 4.6 MiB/s | 149.4 KiB | 00m00s [ 43/176] libselinux-0:3.9-5.fc44.i686 100% | 3.7 MiB/s | 102.5 KiB | 00m00s [ 44/176] libxcrypt-0:4.4.38-9.fc44.i68 100% | 4.7 MiB/s | 129.6 KiB | 00m00s [ 45/176] systemd-libs-0:258-1.fc44.i68 100% | 28.2 MiB/s | 867.5 KiB | 00m00s [ 46/176] ncurses-libs-0:6.5-7.20250614 100% | 11.1 MiB/s | 353.1 KiB | 00m00s [ 47/176] libcap-ng-0:0.8.5-8.fc44.i686 100% | 1.2 MiB/s | 32.8 KiB | 00m00s [ 48/176] audit-libs-0:4.1.2-2.fc44.i68 100% | 5.0 MiB/s | 143.7 KiB | 00m00s [ 49/176] pam-libs-0:1.7.1-3.fc43.i686 100% | 2.3 MiB/s | 60.2 KiB | 00m00s [ 50/176] readline-0:8.3-2.fc43.i686 100% | 8.3 MiB/s | 230.1 KiB | 00m00s [ 51/176] zlib-ng-compat-0:2.2.5-2.fc44 100% | 3.1 MiB/s | 86.1 KiB | 00m00s [ 52/176] bzip2-libs-0:1.0.8-21.fc43.i6 100% | 1.5 MiB/s | 42.8 KiB | 00m00s [ 53/176] libcap-0:2.76-3.fc44.i686 100% | 3.0 MiB/s | 88.8 KiB | 00m00s [ 54/176] libacl-0:2.3.2-4.fc43.i686 100% | 846.5 KiB/s | 25.4 KiB | 00m00s [ 55/176] libeconf-0:0.7.9-2.fc43.i686 100% | 1.4 MiB/s | 37.2 KiB | 00m00s [ 56/176] libsemanage-0:3.9-4.fc44.i686 100% | 4.8 MiB/s | 133.4 KiB | 00m00s [ 57/176] setup-0:2.15.0-26.fc43.noarch 100% | 5.5 MiB/s | 151.2 KiB | 00m00s [ 58/176] gnupg2-0:2.4.8-4.fc43.i686 100% | 41.4 MiB/s | 1.7 MiB | 00m00s [ 59/176] ima-evm-utils-libs-0:1.6.2-6. 100% | 1.0 MiB/s | 29.8 KiB | 00m00s [ 60/176] libfsverity-0:1.6-3.fc43.i686 100% | 694.2 KiB/s | 19.4 KiB | 00m00s [ 61/176] libstdc++-0:15.2.1-1.fc44.1.i 100% | 31.0 MiB/s | 983.7 KiB | 00m00s [ 62/176] popt-0:1.19-9.fc43.i686 100% | 2.2 MiB/s | 61.1 KiB | 00m00s [ 63/176] libzstd-0:1.5.7-2.fc43.i686 100% | 11.1 MiB/s | 307.6 KiB | 00m00s [ 64/176] lua-libs-0:5.4.8-2.fc43.i686 100% | 5.6 MiB/s | 148.8 KiB | 00m00s [ 65/176] rpm-sequoia-0:1.9.0-2.fc43.i6 100% | 32.7 MiB/s | 1.0 MiB | 00m00s [ 66/176] sqlite-libs-0:3.50.2-2.fc43.i 100% | 25.3 MiB/s | 803.3 KiB | 00m00s [ 67/176] elfutils-libelf-0:0.193-3.fc4 100% | 8.0 MiB/s | 213.9 KiB | 00m00s [ 68/176] elfutils-libs-0:0.193-3.fc43. 100% | 10.6 MiB/s | 304.0 KiB | 00m00s [ 69/176] file-libs-0:5.46-8.fc44.i686 100% | 26.2 MiB/s | 857.7 KiB | 00m00s [ 70/176] file-0:5.46-8.fc44.i686 100% | 1.8 MiB/s | 48.9 KiB | 00m00s [ 71/176] libgomp-0:15.2.1-1.fc44.1.i68 100% | 13.1 MiB/s | 374.9 KiB | 00m00s [ 72/176] binutils-0:2.45.50-3.fc44.i68 100% | 117.8 MiB/s | 6.1 MiB | 00m00s [ 73/176] debugedit-0:5.2-3.fc44.i686 100% | 2.8 MiB/s | 89.5 KiB | 00m00s [ 74/176] libarchive-0:3.8.1-3.fc43.i68 100% | 16.1 MiB/s | 462.8 KiB | 00m00s [ 75/176] elfutils-0:0.193-3.fc43.i686 100% | 19.4 MiB/s | 575.8 KiB | 00m00s [ 76/176] pkgconf-pkg-config-0:2.3.0-3. 100% | 367.4 KiB/s | 9.6 KiB | 00m00s [ 77/176] zstd-0:1.5.7-2.fc43.i686 100% | 17.8 MiB/s | 491.3 KiB | 00m00s [ 78/176] curl-0:8.16.0-1.fc44.i686 100% | 8.5 MiB/s | 243.9 KiB | 00m00s [ 79/176] gpgverify-0:2.2-3.fc43.noarch 100% | 427.1 KiB/s | 11.1 KiB | 00m00s [ 80/176] ansible-srpm-macros-0:1-18.1. 100% | 737.3 KiB/s | 19.9 KiB | 00m00s [ 81/176] build-reproducibility-srpm-ma 100% | 471.2 KiB/s | 12.7 KiB | 00m00s [ 82/176] linkdupes-0:0.7.2-1.fc44.i686 100% | 12.8 MiB/s | 380.2 KiB | 00m00s [ 83/176] add-determinism-0:0.7.2-1.fc4 100% | 27.9 MiB/s | 915.2 KiB | 00m00s [ 84/176] dwz-0:0.16-2.fc43.i686 100% | 5.0 MiB/s | 139.4 KiB | 00m00s [ 85/176] efi-srpm-macros-0:6-4.fc43.no 100% | 861.3 KiB/s | 22.4 KiB | 00m00s [ 86/176] filesystem-srpm-macros-0:3.18 100% | 978.3 KiB/s | 26.4 KiB | 00m00s [ 87/176] fonts-srpm-macros-1:2.0.5-23. 100% | 1.0 MiB/s | 27.2 KiB | 00m00s [ 88/176] forge-srpm-macros-0:0.4.0-3.f 100% | 772.6 KiB/s | 20.1 KiB | 00m00s [ 89/176] fpc-srpm-macros-0:1.3-15.fc43 100% | 303.5 KiB/s | 7.9 KiB | 00m00s [ 90/176] gap-srpm-macros-0:1-1.fc44.no 100% | 331.0 KiB/s | 8.6 KiB | 00m00s [ 91/176] ghc-srpm-macros-0:1.9.2-3.fc4 100% | 349.8 KiB/s | 8.7 KiB | 00m00s [ 92/176] go-srpm-macros-0:3.8.0-1.fc44 100% | 976.1 KiB/s | 28.3 KiB | 00m00s [ 93/176] gnat-srpm-macros-0:6-8.fc43.n 100% | 282.9 KiB/s | 8.5 KiB | 00m00s [ 94/176] java-srpm-macros-0:1-7.fc43.n 100% | 305.5 KiB/s | 7.9 KiB | 00m00s [ 95/176] kernel-srpm-macros-0:1.0-27.f 100% | 343.1 KiB/s | 8.9 KiB | 00m00s [ 96/176] lua-srpm-macros-0:1-16.fc43.n 100% | 336.8 KiB/s | 8.8 KiB | 00m00s [ 97/176] ocaml-srpm-macros-0:11-2.fc43 100% | 356.2 KiB/s | 9.3 KiB | 00m00s [ 98/176] openblas-srpm-macros-0:2-20.f 100% | 292.1 KiB/s | 7.6 KiB | 00m00s [ 99/176] package-notes-srpm-macros-0:0 100% | 345.6 KiB/s | 9.0 KiB | 00m00s [100/176] perl-srpm-macros-0:1-60.fc43. 100% | 318.8 KiB/s | 8.3 KiB | 00m00s [101/176] pyproject-srpm-macros-0:1.18. 100% | 528.2 KiB/s | 13.7 KiB | 00m00s [102/176] python-srpm-macros-0:3.14-7.f 100% | 873.2 KiB/s | 23.6 KiB | 00m00s [103/176] qt5-srpm-macros-0:5.15.17-2.f 100% | 320.8 KiB/s | 8.7 KiB | 00m00s [104/176] qt6-srpm-macros-0:6.9.2-1.fc4 100% | 361.0 KiB/s | 9.4 KiB | 00m00s [105/176] rust-srpm-macros-0:26.4-1.fc4 100% | 429.2 KiB/s | 11.2 KiB | 00m00s [106/176] tree-sitter-srpm-macros-0:0.4 100% | 513.5 KiB/s | 13.4 KiB | 00m00s [107/176] zig-srpm-macros-0:1-5.fc43.no 100% | 324.4 KiB/s | 8.4 KiB | 00m00s [108/176] pkgconf-0:2.3.0-3.fc43.i686 100% | 1.7 MiB/s | 44.7 KiB | 00m00s [109/176] zip-0:3.0-44.fc43.i686 100% | 9.6 MiB/s | 264.9 KiB | 00m00s [110/176] libpkgconf-0:2.3.0-3.fc43.i68 100% | 1.5 MiB/s | 41.0 KiB | 00m00s [111/176] pkgconf-m4-0:2.3.0-3.fc43.noa 100% | 496.8 KiB/s | 13.9 KiB | 00m00s [112/176] ed-0:1.22.2-1.fc44.i686 100% | 3.1 MiB/s | 82.9 KiB | 00m00s [113/176] libattr-0:2.5.2-6.fc43.i686 100% | 703.1 KiB/s | 18.3 KiB | 00m00s [114/176] ncurses-base-0:6.5-7.20250614 100% | 2.3 MiB/s | 63.7 KiB | 00m00s [115/176] libsepol-0:3.9-2.fc43.i686 100% | 12.9 MiB/s | 356.4 KiB | 00m00s [116/176] pcre2-syntax-0:10.46-1.fc44.n 100% | 6.1 MiB/s | 162.2 KiB | 00m00s [117/176] pcre2-0:10.46-1.fc44.i686 100% | 9.3 MiB/s | 258.5 KiB | 00m00s [118/176] libxml2-0:2.12.10-5.fc44.i686 100% | 22.4 MiB/s | 733.1 KiB | 00m00s [119/176] openssl-libs-1:3.5.1-3.fc44.i 100% | 62.5 MiB/s | 2.6 MiB | 00m00s [120/176] lz4-libs-0:1.10.0-3.fc43.i686 100% | 2.8 MiB/s | 79.4 KiB | 00m00s [121/176] tpm2-tss-0:4.1.3-8.fc43.i686 100% | 12.9 MiB/s | 369.7 KiB | 00m00s [122/176] gnupg2-verify-0:2.4.8-4.fc43. 100% | 6.4 MiB/s | 175.7 KiB | 00m00s [123/176] libassuan-0:2.5.7-4.fc43.i686 100% | 2.6 MiB/s | 69.6 KiB | 00m00s [124/176] libgcrypt-0:1.11.1-2.fc43.i68 100% | 17.8 MiB/s | 548.3 KiB | 00m00s [125/176] libgpg-error-0:1.55-2.fc43.i6 100% | 8.8 MiB/s | 243.1 KiB | 00m00s [126/176] npth-0:1.8-3.fc43.i686 100% | 956.2 KiB/s | 25.8 KiB | 00m00s [127/176] gnupg2-dirmngr-0:2.4.8-4.fc43 100% | 10.1 MiB/s | 289.9 KiB | 00m00s [128/176] gnupg2-gpg-agent-0:2.4.8-4.fc 100% | 10.0 MiB/s | 287.4 KiB | 00m00s [129/176] gnupg2-gpgconf-0:2.4.8-4.fc43 100% | 4.2 MiB/s | 119.2 KiB | 00m00s [130/176] gnupg2-keyboxd-0:2.4.8-4.fc43 100% | 3.5 MiB/s | 97.3 KiB | 00m00s [131/176] gmp-1:6.3.0-4.fc44.i686 100% | 11.3 MiB/s | 312.3 KiB | 00m00s [132/176] mpfr-0:4.2.2-2.fc43.i686 100% | 13.4 MiB/s | 385.1 KiB | 00m00s [133/176] fedora-release-identity-basic 100% | 588.8 KiB/s | 14.7 KiB | 00m00s [134/176] elfutils-default-yama-scope-0 100% | 460.2 KiB/s | 12.4 KiB | 00m00s [135/176] elfutils-debuginfod-client-0: 100% | 1.8 MiB/s | 48.0 KiB | 00m00s [136/176] alternatives-0:1.33-2.fc43.i6 100% | 1.5 MiB/s | 41.2 KiB | 00m00s [137/176] coreutils-common-0:9.7-5.fc43 100% | 61.0 MiB/s | 2.1 MiB | 00m00s [138/176] jansson-0:2.14-3.fc43.i686 100% | 1.7 MiB/s | 46.9 KiB | 00m00s [139/176] json-c-0:0.18-7.fc43.i686 100% | 1.8 MiB/s | 48.3 KiB | 00m00s [140/176] libusb1-0:1.0.29-4.fc44.i686 100% | 3.1 MiB/s | 83.4 KiB | 00m00s [141/176] ca-certificates-0:2025.2.80_v 100% | 31.7 MiB/s | 973.8 KiB | 00m00s [142/176] crypto-policies-0:20250714-5. 100% | 2.8 MiB/s | 75.1 KiB | 00m00s [143/176] libksba-0:1.6.7-4.fc43.i686 100% | 6.1 MiB/s | 162.9 KiB | 00m00s [144/176] gnutls-0:3.8.10-5.fc44.i686 100% | 44.8 MiB/s | 1.3 MiB | 00m00s [145/176] openldap-0:2.6.10-4.fc44.i686 100% | 10.0 MiB/s | 277.4 KiB | 00m00s [146/176] libffi-0:3.5.2-1.fc44.i686 100% | 1.4 MiB/s | 39.0 KiB | 00m00s [147/176] p11-kit-0:0.25.8-1.fc44.i686 100% | 16.9 MiB/s | 501.8 KiB | 00m00s [148/176] p11-kit-trust-0:0.25.8-1.fc44 100% | 5.2 MiB/s | 144.6 KiB | 00m00s [149/176] libtasn1-0:4.20.0-2.fc43.i686 100% | 2.8 MiB/s | 75.7 KiB | 00m00s [150/176] cyrus-sasl-lib-0:2.1.28-33.fc 100% | 27.9 MiB/s | 857.7 KiB | 00m00s [151/176] libevent-0:2.1.12-16.fc43.i68 100% | 10.0 MiB/s | 275.7 KiB | 00m00s [152/176] libtool-ltdl-0:2.5.4-7.fc43.i 100% | 1.4 MiB/s | 38.0 KiB | 00m00s [153/176] libidn2-0:2.3.8-2.fc43.i686 100% | 6.4 MiB/s | 170.0 KiB | 00m00s [154/176] libunistring-0:1.1-10.fc43.i6 100% | 18.6 MiB/s | 550.9 KiB | 00m00s [155/176] nettle-0:3.10.1-2.fc43.i686 100% | 15.9 MiB/s | 440.3 KiB | 00m00s [156/176] gdbm-libs-1:1.23-10.fc43.i686 100% | 2.2 MiB/s | 59.6 KiB | 00m00s [157/176] systemd-standalone-sysusers-0 100% | 5.6 MiB/s | 147.9 KiB | 00m00s [158/176] libcurl-0:8.16.0-1.fc44.i686 100% | 15.3 MiB/s | 440.1 KiB | 00m00s [159/176] gdb-minimal-0:16.3-6.fc44.i68 100% | 102.6 MiB/s | 4.8 MiB | 00m00s [160/176] libnghttp2-0:1.67.1-1.fc44.i6 100% | 2.9 MiB/s | 77.9 KiB | 00m00s [161/176] selinux-policy-0:42.9-1.fc44. 100% | 1.9 MiB/s | 60.3 KiB | 00m00s [162/176] selinux-policy-targeted-0:42. 100% | 121.8 MiB/s | 6.6 MiB | 00m00s [163/176] rpm-plugin-selinux-0:5.99.92- 100% | 692.8 KiB/s | 19.4 KiB | 00m00s [164/176] xxhash-libs-0:0.8.3-3.fc43.i6 100% | 1.8 MiB/s | 47.4 KiB | 00m00s [165/176] policycoreutils-0:3.9-4.fc44. 100% | 6.9 MiB/s | 190.9 KiB | 00m00s [166/176] libselinux-utils-0:3.9-5.fc44 100% | 4.0 MiB/s | 110.5 KiB | 00m00s [167/176] krb5-libs-0:1.21.3-7.fc43.i68 100% | 28.0 MiB/s | 804.1 KiB | 00m00s [168/176] libbrotli-0:1.1.0-10.fc44.i68 100% | 11.8 MiB/s | 339.7 KiB | 00m00s [169/176] libpsl-0:0.21.5-6.fc43.i686 100% | 2.5 MiB/s | 65.5 KiB | 00m00s [170/176] libssh-0:0.11.3-1.fc44.i686 100% | 9.1 MiB/s | 250.8 KiB | 00m00s [171/176] libssh-config-0:0.11.3-1.fc44 100% | 364.5 KiB/s | 9.1 KiB | 00m00s [172/176] keyutils-libs-0:1.6.3-6.fc43. 100% | 1.2 MiB/s | 31.7 KiB | 00m00s [173/176] libcom_err-0:1.47.3-2.fc43.i6 100% | 1.0 MiB/s | 27.1 KiB | 00m00s [174/176] libverto-0:0.3.2-11.fc43.i686 100% | 779.7 KiB/s | 21.1 KiB | 00m00s [175/176] publicsuffix-list-dafsa-0:202 100% | 2.2 MiB/s | 59.2 KiB | 00m00s [176/176] libmount-0:2.41.1-17.fc44.i68 100% | 34.0 KiB/s | 172.2 KiB | 00m05s -------------------------------------------------------------------------------- [176/176] Total 100% | 12.0 MiB/s | 67.3 MiB | 00m06s Running transaction [ 1/178] Verify package files 100% | 644.0 B/s | 176.0 B | 00m00s >>> Running %pretrans scriptlet: filesystem-0:3.18-50.fc43.i686 >>> Finished %pretrans scriptlet: filesystem-0:3.18-50.fc43.i686 >>> [RPM] /var/lib/mock/fedora-43-i686-1758462718.539132/root/var/cache/dnf/copr [ 2/178] Prepare transaction 100% | 3.1 KiB/s | 176.0 B | 00m00s [ 3/178] Installing libgcc-0:15.2.1-1. 100% | 146.2 MiB/s | 299.4 KiB | 00m00s [ 4/178] Installing publicsuffix-list- 100% | 0.0 B/s | 69.8 KiB | 00m00s [ 5/178] Installing libssh-config-0:0. 100% | 0.0 B/s | 816.0 B | 00m00s [ 6/178] Installing coreutils-common-0 100% | 342.2 MiB/s | 11.3 MiB | 00m00s [ 7/178] Installing fedora-release-ide 100% | 0.0 B/s | 920.0 B | 00m00s [ 8/178] Installing fedora-gpg-keys-0: 100% | 43.7 MiB/s | 179.0 KiB | 00m00s [ 9/178] Installing fedora-repos-rawhi 100% | 0.0 B/s | 2.4 KiB | 00m00s [ 10/178] Installing fedora-repos-0:44- 100% | 0.0 B/s | 5.7 KiB | 00m00s [ 11/178] Installing fedora-release-com 100% | 24.2 MiB/s | 24.8 KiB | 00m00s [ 12/178] Installing fedora-release-0:4 100% | 15.1 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. >>> [ 13/178] Installing setup-0:2.15.0-26. 100% | 51.0 MiB/s | 730.6 KiB | 00m00s >>> [RPM] /etc/hosts created as /etc/hosts.rpmnew [ 14/178] Installing filesystem-0:3.18- 100% | 2.7 MiB/s | 212.2 KiB | 00m00s [ 15/178] Installing pcre2-syntax-0:10. 100% | 135.6 MiB/s | 277.8 KiB | 00m00s [ 16/178] Installing ncurses-base-0:6.5 100% | 86.3 MiB/s | 353.5 KiB | 00m00s [ 17/178] Installing pkgconf-m4-0:2.3.0 100% | 0.0 B/s | 14.8 KiB | 00m00s [ 18/178] Installing rust-srpm-macros-0 100% | 0.0 B/s | 5.6 KiB | 00m00s [ 19/178] Installing qt6-srpm-macros-0: 100% | 0.0 B/s | 740.0 B | 00m00s [ 20/178] Installing qt5-srpm-macros-0: 100% | 0.0 B/s | 776.0 B | 00m00s [ 21/178] Installing perl-srpm-macros-0 100% | 0.0 B/s | 1.1 KiB | 00m00s [ 22/178] Installing package-notes-srpm 100% | 0.0 B/s | 2.0 KiB | 00m00s [ 23/178] Installing openblas-srpm-macr 100% | 0.0 B/s | 392.0 B | 00m00s [ 24/178] Installing ocaml-srpm-macros- 100% | 0.0 B/s | 2.1 KiB | 00m00s [ 25/178] Installing kernel-srpm-macros 100% | 0.0 B/s | 2.3 KiB | 00m00s [ 26/178] Installing gnat-srpm-macros-0 100% | 0.0 B/s | 1.3 KiB | 00m00s [ 27/178] Installing ghc-srpm-macros-0: 100% | 0.0 B/s | 1.0 KiB | 00m00s [ 28/178] Installing gap-srpm-macros-0: 100% | 0.0 B/s | 2.6 KiB | 00m00s [ 29/178] Installing fpc-srpm-macros-0: 100% | 0.0 B/s | 420.0 B | 00m00s [ 30/178] Installing ansible-srpm-macro 100% | 0.0 B/s | 36.2 KiB | 00m00s [ 31/178] Installing bash-0:5.3.0-2.fc4 100% | 238.1 MiB/s | 8.6 MiB | 00m00s [ 32/178] Installing glibc-common-0:2.4 100% | 56.8 MiB/s | 1.0 MiB | 00m00s [ 33/178] Installing glibc-gconv-extra- 100% | 252.4 MiB/s | 6.8 MiB | 00m00s [ 34/178] Installing glibc-0:2.42.9000- 100% | 142.1 MiB/s | 5.5 MiB | 00m00s [ 35/178] Installing ncurses-libs-0:6.5 100% | 232.4 MiB/s | 951.9 KiB | 00m00s [ 36/178] Installing glibc-minimal-lang 100% | 17.3 KiB/s | 124.0 B | 00m00s [ 37/178] Installing crypto-policies-0: 100% | 33.6 MiB/s | 172.0 KiB | 00m00s [ 38/178] Installing filesystem-srpm-ma 100% | 0.0 B/s | 38.9 KiB | 00m00s [ 39/178] Installing elfutils-default-y 100% | 340.5 KiB/s | 2.0 KiB | 00m00s [ 40/178] Installing zlib-ng-compat-0:2 100% | 154.0 MiB/s | 157.7 KiB | 00m00s [ 41/178] Installing bzip2-libs-0:1.0.8 100% | 79.0 MiB/s | 80.9 KiB | 00m00s [ 42/178] Installing libgpg-error-0:1.5 100% | 50.1 MiB/s | 923.4 KiB | 00m00s [ 43/178] Installing libstdc++-0:15.2.1 100% | 318.4 MiB/s | 2.9 MiB | 00m00s [ 44/178] Installing xz-libs-1:5.8.1-2. 100% | 228.9 MiB/s | 234.3 KiB | 00m00s [ 45/178] Installing libassuan-0:2.5.7- 100% | 164.9 MiB/s | 168.8 KiB | 00m00s [ 46/178] Installing libgcrypt-0:1.11.1 100% | 312.3 MiB/s | 1.2 MiB | 00m00s [ 47/178] Installing readline-0:8.3-2.f 100% | 237.4 MiB/s | 486.1 KiB | 00m00s [ 48/178] Installing libuuid-0:2.41.1-1 100% | 40.7 MiB/s | 41.7 KiB | 00m00s [ 49/178] Installing gmp-1:6.3.0-4.fc44 100% | 359.6 MiB/s | 736.5 KiB | 00m00s [ 50/178] Installing popt-0:1.19-9.fc43 100% | 69.5 MiB/s | 142.4 KiB | 00m00s [ 51/178] Installing npth-0:1.8-3.fc43. 100% | 0.0 B/s | 50.0 KiB | 00m00s [ 52/178] Installing libblkid-0:2.41.1- 100% | 279.8 MiB/s | 286.5 KiB | 00m00s [ 53/178] Installing libxcrypt-0:4.4.38 100% | 291.5 MiB/s | 298.5 KiB | 00m00s [ 54/178] Installing libzstd-0:1.5.7-2. 100% | 379.2 MiB/s | 776.7 KiB | 00m00s [ 55/178] Installing elfutils-libelf-0: 100% | 391.2 MiB/s | 1.2 MiB | 00m00s [ 56/178] Installing elfutils-libs-0:0. 100% | 239.5 MiB/s | 735.7 KiB | 00m00s [ 57/178] Installing sqlite-libs-0:3.50 100% | 319.0 MiB/s | 1.6 MiB | 00m00s [ 58/178] Installing libsepol-0:3.9-2.f 100% | 284.6 MiB/s | 874.3 KiB | 00m00s [ 59/178] Installing gnupg2-gpgconf-0:2 100% | 18.6 MiB/s | 248.0 KiB | 00m00s [ 60/178] Installing libattr-0:2.5.2-6. 100% | 24.0 MiB/s | 24.6 KiB | 00m00s [ 61/178] Installing libacl-0:2.3.2-4.f 100% | 0.0 B/s | 36.0 KiB | 00m00s [ 62/178] Installing pcre2-0:10.46-1.fc 100% | 338.6 MiB/s | 693.5 KiB | 00m00s [ 63/178] Installing libselinux-0:3.9-5 100% | 208.6 MiB/s | 213.6 KiB | 00m00s [ 64/178] Installing grep-0:3.12-2.fc43 100% | 58.9 MiB/s | 1.0 MiB | 00m00s [ 65/178] Installing sed-0:4.9-5.fc43.i 100% | 53.0 MiB/s | 868.6 KiB | 00m00s [ 66/178] Installing findutils-1:4.10.0 100% | 98.7 MiB/s | 1.9 MiB | 00m00s [ 67/178] Installing libtasn1-0:4.20.0- 100% | 173.2 MiB/s | 177.4 KiB | 00m00s [ 68/178] Installing libunistring-0:1.1 100% | 346.8 MiB/s | 1.7 MiB | 00m00s [ 69/178] Installing libidn2-0:2.3.8-2. 100% | 181.6 MiB/s | 557.9 KiB | 00m00s [ 70/178] Installing xz-1:5.8.1-2.fc43. 100% | 74.1 MiB/s | 1.3 MiB | 00m00s [ 71/178] Installing libmount-0:2.41.1- 100% | 201.7 MiB/s | 413.0 KiB | 00m00s [ 72/178] Installing dwz-0:0.16-2.fc43. 100% | 21.4 MiB/s | 306.4 KiB | 00m00s [ 73/178] Installing gnupg2-verify-0:2. 100% | 25.2 MiB/s | 360.6 KiB | 00m00s [ 74/178] Installing mpfr-0:4.2.2-2.fc4 100% | 314.1 MiB/s | 964.9 KiB | 00m00s [ 75/178] Installing gawk-0:5.3.2-2.fc4 100% | 95.3 MiB/s | 1.8 MiB | 00m00s [ 76/178] Installing libksba-0:1.6.7-4. 100% | 195.5 MiB/s | 400.4 KiB | 00m00s [ 77/178] Installing unzip-0:6.0-68.fc4 100% | 27.9 MiB/s | 399.3 KiB | 00m00s [ 78/178] Installing file-libs-0:5.46-8 100% | 593.4 MiB/s | 11.9 MiB | 00m00s [ 79/178] Installing file-0:5.46-8.fc44 100% | 7.3 MiB/s | 96.7 KiB | 00m00s [ 80/178] Installing diffutils-0:3.12-3 100% | 82.0 MiB/s | 1.6 MiB | 00m00s [ 81/178] Installing libsmartcols-0:2.4 100% | 184.6 MiB/s | 189.0 KiB | 00m00s [ 82/178] Installing libcap-ng-0:0.8.5- 100% | 67.6 MiB/s | 69.2 KiB | 00m00s [ 83/178] Installing audit-libs-0:4.1.2 100% | 193.0 MiB/s | 395.2 KiB | 00m00s [ 84/178] Installing libsemanage-0:3.9- 100% | 314.2 MiB/s | 321.7 KiB | 00m00s [ 85/178] Installing libeconf-0:0.7.9-2 100% | 64.2 MiB/s | 65.8 KiB | 00m00s [ 86/178] Installing pam-libs-0:1.7.1-3 100% | 127.8 MiB/s | 130.9 KiB | 00m00s [ 87/178] Installing libcap-0:2.76-3.fc 100% | 13.9 MiB/s | 198.8 KiB | 00m00s [ 88/178] Installing systemd-libs-0:258 100% | 291.9 MiB/s | 2.3 MiB | 00m00s [ 89/178] Installing lua-libs-0:5.4.8-2 100% | 302.3 MiB/s | 309.6 KiB | 00m00s [ 90/178] Installing lz4-libs-0:1.10.0- 100% | 157.9 MiB/s | 161.7 KiB | 00m00s [ 91/178] Installing alternatives-0:1.3 100% | 4.7 MiB/s | 62.9 KiB | 00m00s [ 92/178] Installing json-c-0:0.18-7.fc 100% | 85.1 MiB/s | 87.2 KiB | 00m00s [ 93/178] Installing libffi-0:3.5.2-1.f 100% | 78.4 MiB/s | 80.3 KiB | 00m00s [ 94/178] Installing p11-kit-0:0.25.8-1 100% | 109.9 MiB/s | 2.4 MiB | 00m00s [ 95/178] Installing p11-kit-trust-0:0. 100% | 17.7 MiB/s | 398.3 KiB | 00m00s [ 96/178] Installing openssl-libs-1:3.5 100% | 311.8 MiB/s | 7.8 MiB | 00m00s [ 97/178] Installing coreutils-0:9.7-5. 100% | 144.3 MiB/s | 5.3 MiB | 00m00s [ 98/178] Installing ca-certificates-0: 100% | 1.4 MiB/s | 2.5 MiB | 00m02s [ 99/178] Installing gzip-0:1.14-1.fc44 100% | 24.6 MiB/s | 402.4 KiB | 00m00s [100/178] Installing libfsverity-0:1.6- 100% | 28.1 MiB/s | 28.8 KiB | 00m00s [101/178] Installing rpm-sequoia-0:1.9. 100% | 346.9 MiB/s | 2.8 MiB | 00m00s [102/178] Installing libevent-0:2.1.12- 100% | 307.0 MiB/s | 943.0 KiB | 00m00s [103/178] Installing zstd-0:1.5.7-2.fc4 100% | 97.7 MiB/s | 1.7 MiB | 00m00s [104/178] Installing util-linux-core-0: 100% | 69.3 MiB/s | 1.4 MiB | 00m00s [105/178] Installing libusb1-0:1.0.29-4 100% | 17.6 MiB/s | 180.2 KiB | 00m00s >>> Running sysusers scriptlet: tpm2-tss-0:4.1.3-8.fc43.i686 >>> Finished sysusers scriptlet: tpm2-tss-0:4.1.3-8.fc43.i686 >>> Scriptlet output: >>> Creating group 'tss' with GID 59. >>> Creating user 'tss' (Account used for TPM access) with UID 59 and GID 59. >>> [106/178] Installing tpm2-tss-0:4.1.3-8 100% | 232.9 MiB/s | 1.6 MiB | 00m00s [107/178] Installing ima-evm-utils-libs 100% | 51.9 MiB/s | 53.2 KiB | 00m00s [108/178] Installing gnupg2-gpg-agent-0 100% | 27.9 MiB/s | 684.9 KiB | 00m00s [109/178] Installing systemd-standalone 100% | 19.1 MiB/s | 293.1 KiB | 00m00s [110/178] Installing rpm-libs-0:5.99.92 100% | 233.0 MiB/s | 954.3 KiB | 00m00s [111/178] Installing zip-0:3.0-44.fc43. 100% | 45.5 MiB/s | 698.2 KiB | 00m00s [112/178] Installing gnupg2-keyboxd-0:2 100% | 24.1 MiB/s | 197.3 KiB | 00m00s [113/178] Installing libpsl-0:0.21.5-6. 100% | 75.0 MiB/s | 76.8 KiB | 00m00s [114/178] Installing tar-2:1.35-6.fc43. 100% | 120.0 MiB/s | 3.0 MiB | 00m00s [115/178] Installing linkdupes-0:0.7.2- 100% | 50.2 MiB/s | 822.3 KiB | 00m00s [116/178] Installing libselinux-utils-0 100% | 18.1 MiB/s | 278.2 KiB | 00m00s [117/178] Installing liblastlog2-0:2.41 100% | 4.8 MiB/s | 34.3 KiB | 00m00s [118/178] Installing libfdisk-0:2.41.1- 100% | 138.3 MiB/s | 425.0 KiB | 00m00s [119/178] Installing util-linux-0:2.41. 100% | 83.8 MiB/s | 3.4 MiB | 00m00s [120/178] Installing policycoreutils-0: 100% | 23.0 MiB/s | 681.6 KiB | 00m00s [121/178] Installing selinux-policy-0:4 100% | 1.4 MiB/s | 33.3 KiB | 00m00s [122/178] Installing selinux-policy-tar 100% | 173.1 MiB/s | 14.9 MiB | 00m00s [123/178] Installing nettle-0:3.10.1-2. 100% | 190.4 MiB/s | 779.7 KiB | 00m00s [124/178] Installing gnutls-0:3.8.10-5. 100% | 314.8 MiB/s | 3.8 MiB | 00m00s [125/178] Installing libxml2-0:2.12.10- 100% | 90.1 MiB/s | 1.8 MiB | 00m00s [126/178] Installing libarchive-0:3.8.1 100% | 250.2 MiB/s | 1.0 MiB | 00m00s [127/178] Installing bzip2-0:1.0.8-21.f 100% | 6.3 MiB/s | 90.1 KiB | 00m00s [128/178] Installing add-determinism-0: 100% | 108.2 MiB/s | 2.2 MiB | 00m00s [129/178] Installing build-reproducibil 100% | 1.5 MiB/s | 1.5 KiB | 00m00s [130/178] Installing cpio-0:2.15-6.fc43 100% | 65.0 MiB/s | 1.1 MiB | 00m00s [131/178] Installing libgomp-0:15.2.1-1 100% | 264.5 MiB/s | 541.6 KiB | 00m00s [132/178] Installing libpkgconf-0:2.3.0 100% | 75.9 MiB/s | 77.7 KiB | 00m00s [133/178] Installing pkgconf-0:2.3.0-3. 100% | 6.0 MiB/s | 85.4 KiB | 00m00s [134/178] Installing pkgconf-pkg-config 100% | 135.8 KiB/s | 1.8 KiB | 00m00s [135/178] Installing ed-0:1.22.2-1.fc44 100% | 10.4 MiB/s | 149.1 KiB | 00m00s [136/178] Installing patch-0:2.8-2.fc43 100% | 16.4 MiB/s | 235.3 KiB | 00m00s [137/178] Installing jansson-0:2.14-3.f 100% | 87.5 MiB/s | 89.6 KiB | 00m00s [138/178] Installing libtool-ltdl-0:2.5 100% | 68.8 MiB/s | 70.5 KiB | 00m00s [139/178] Installing gdbm-libs-1:1.23-1 100% | 127.0 MiB/s | 130.1 KiB | 00m00s [140/178] Installing cyrus-sasl-lib-0:2 100% | 123.7 MiB/s | 2.5 MiB | 00m00s [141/178] Installing openldap-0:2.6.10- 100% | 220.3 MiB/s | 676.8 KiB | 00m00s [142/178] Installing gnupg2-dirmngr-0:2 100% | 26.4 MiB/s | 648.7 KiB | 00m00s [143/178] Installing gnupg2-0:2.4.8-4.f 100% | 195.3 MiB/s | 6.6 MiB | 00m00s [144/178] Installing gpgverify-0:2.2-3. 100% | 0.0 B/s | 9.4 KiB | 00m00s [145/178] Installing rpm-sign-libs-0:5. 100% | 31.0 MiB/s | 31.8 KiB | 00m00s [146/178] Installing rpm-build-libs-0:5 100% | 261.7 MiB/s | 267.9 KiB | 00m00s [147/178] Installing libnghttp2-0:1.67. 100% | 158.8 MiB/s | 162.6 KiB | 00m00s [148/178] Installing xxhash-libs-0:0.8. 100% | 112.2 MiB/s | 114.9 KiB | 00m00s [149/178] Installing libbrotli-0:1.1.0- 100% | 279.1 MiB/s | 857.4 KiB | 00m00s [150/178] Installing keyutils-libs-0:1. 100% | 53.6 MiB/s | 54.9 KiB | 00m00s [151/178] Installing libcom_err-0:1.47. 100% | 0.0 B/s | 63.3 KiB | 00m00s [152/178] Installing libverto-0:0.3.2-1 100% | 25.8 MiB/s | 26.5 KiB | 00m00s [153/178] Installing krb5-libs-0:1.21.3 100% | 289.6 MiB/s | 2.3 MiB | 00m00s [154/178] Installing libssh-0:0.11.3-1. 100% | 200.2 MiB/s | 615.1 KiB | 00m00s [155/178] Installing libcurl-0:8.16.0-1 100% | 312.1 MiB/s | 958.9 KiB | 00m00s [156/178] Installing elfutils-debuginfo 100% | 5.3 MiB/s | 76.6 KiB | 00m00s [157/178] Installing binutils-0:2.45.50 100% | 286.5 MiB/s | 27.5 MiB | 00m00s [158/178] Installing elfutils-0:0.193-3 100% | 117.6 MiB/s | 2.6 MiB | 00m00s [159/178] Installing gdb-minimal-0:16.3 100% | 243.0 MiB/s | 13.9 MiB | 00m00s [160/178] Installing debugedit-0:5.2-3. 100% | 15.5 MiB/s | 221.9 KiB | 00m00s [161/178] Installing curl-0:8.16.0-1.fc 100% | 19.6 MiB/s | 481.3 KiB | 00m00s [162/178] Installing rpm-0:5.99.92-2.fc 100% | 68.7 MiB/s | 2.5 MiB | 00m00s [163/178] Installing efi-srpm-macros-0: 100% | 40.2 MiB/s | 41.1 KiB | 00m00s [164/178] Installing java-srpm-macros-0 100% | 0.0 B/s | 1.1 KiB | 00m00s [165/178] Installing lua-srpm-macros-0: 100% | 0.0 B/s | 1.9 KiB | 00m00s [166/178] Installing tree-sitter-srpm-m 100% | 0.0 B/s | 9.3 KiB | 00m00s [167/178] Installing zig-srpm-macros-0: 100% | 0.0 B/s | 1.7 KiB | 00m00s [168/178] Installing redhat-rpm-config- 100% | 92.5 MiB/s | 189.4 KiB | 00m00s [169/178] Installing forge-srpm-macros- 100% | 0.0 B/s | 40.3 KiB | 00m00s [170/178] Installing fonts-srpm-macros- 100% | 0.0 B/s | 57.0 KiB | 00m00s [171/178] Installing go-srpm-macros-0:3 100% | 0.0 B/s | 63.0 KiB | 00m00s [172/178] Installing python-srpm-macros 100% | 51.6 MiB/s | 52.8 KiB | 00m00s [173/178] Installing rpm-build-0:5.99.9 100% | 16.7 MiB/s | 274.3 KiB | 00m00s [174/178] Installing pyproject-srpm-mac 100% | 0.0 B/s | 2.5 KiB | 00m00s [175/178] Installing rpm-plugin-selinux 100% | 0.0 B/s | 12.2 KiB | 00m00s [176/178] Installing which-0:2.23-3.fc4 100% | 5.6 MiB/s | 80.3 KiB | 00m00s [177/178] Installing shadow-utils-2:4.1 100% | 123.0 MiB/s | 3.9 MiB | 00m00s [178/178] Installing info-0:7.2-6.fc43. 100% | 40.6 KiB/s | 360.8 KiB | 00m09s Warning: skipped OpenPGP checks for 176 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.i686 alternatives-1.33-2.fc43.i686 ansible-srpm-macros-1-18.1.fc43.noarch audit-libs-4.1.2-2.fc44.i686 bash-5.3.0-2.fc43.i686 binutils-2.45.50-3.fc44.i686 build-reproducibility-srpm-macros-0.7.2-1.fc44.noarch bzip2-1.0.8-21.fc43.i686 bzip2-libs-1.0.8-21.fc43.i686 ca-certificates-2025.2.80_v9.0.304-2.fc44.noarch coreutils-9.7-5.fc43.i686 coreutils-common-9.7-5.fc43.i686 cpio-2.15-6.fc43.i686 crypto-policies-20250714-5.gitcd6043a.fc44.noarch curl-8.16.0-1.fc44.i686 cyrus-sasl-lib-2.1.28-33.fc44.i686 debugedit-5.2-3.fc44.i686 diffutils-3.12-3.fc43.i686 dwz-0.16-2.fc43.i686 ed-1.22.2-1.fc44.i686 efi-srpm-macros-6-4.fc43.noarch elfutils-0.193-3.fc43.i686 elfutils-debuginfod-client-0.193-3.fc43.i686 elfutils-default-yama-scope-0.193-3.fc43.noarch elfutils-libelf-0.193-3.fc43.i686 elfutils-libs-0.193-3.fc43.i686 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.i686 file-libs-5.46-8.fc44.i686 filesystem-3.18-50.fc43.i686 filesystem-srpm-macros-3.18-50.fc43.noarch findutils-4.10.0-6.fc43.i686 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.i686 gdb-minimal-16.3-6.fc44.i686 gdbm-libs-1.23-10.fc43.i686 ghc-srpm-macros-1.9.2-3.fc43.noarch glibc-2.42.9000-5.fc44.i686 glibc-common-2.42.9000-5.fc44.i686 glibc-gconv-extra-2.42.9000-5.fc44.i686 glibc-minimal-langpack-2.42.9000-5.fc44.i686 gmp-6.3.0-4.fc44.i686 gnat-srpm-macros-6-8.fc43.noarch gnupg2-2.4.8-4.fc43.i686 gnupg2-dirmngr-2.4.8-4.fc43.i686 gnupg2-gpg-agent-2.4.8-4.fc43.i686 gnupg2-gpgconf-2.4.8-4.fc43.i686 gnupg2-keyboxd-2.4.8-4.fc43.i686 gnupg2-verify-2.4.8-4.fc43.i686 gnutls-3.8.10-5.fc44.i686 go-srpm-macros-3.8.0-1.fc44.noarch gpgverify-2.2-3.fc43.noarch grep-3.12-2.fc43.i686 gzip-1.14-1.fc44.i686 ima-evm-utils-libs-1.6.2-6.fc43.i686 info-7.2-6.fc43.i686 jansson-2.14-3.fc43.i686 java-srpm-macros-1-7.fc43.noarch json-c-0.18-7.fc43.i686 kernel-srpm-macros-1.0-27.fc43.noarch keyutils-libs-1.6.3-6.fc43.i686 krb5-libs-1.21.3-7.fc43.i686 libacl-2.3.2-4.fc43.i686 libarchive-3.8.1-3.fc43.i686 libassuan-2.5.7-4.fc43.i686 libattr-2.5.2-6.fc43.i686 libblkid-2.41.1-17.fc44.i686 libbrotli-1.1.0-10.fc44.i686 libcap-2.76-3.fc44.i686 libcap-ng-0.8.5-8.fc44.i686 libcom_err-1.47.3-2.fc43.i686 libcurl-8.16.0-1.fc44.i686 libeconf-0.7.9-2.fc43.i686 libevent-2.1.12-16.fc43.i686 libfdisk-2.41.1-17.fc44.i686 libffi-3.5.2-1.fc44.i686 libfsverity-1.6-3.fc43.i686 libgcc-15.2.1-1.fc44.1.i686 libgcrypt-1.11.1-2.fc43.i686 libgomp-15.2.1-1.fc44.1.i686 libgpg-error-1.55-2.fc43.i686 libidn2-2.3.8-2.fc43.i686 libksba-1.6.7-4.fc43.i686 liblastlog2-2.41.1-17.fc44.i686 libmount-2.41.1-17.fc44.i686 libnghttp2-1.67.1-1.fc44.i686 libpkgconf-2.3.0-3.fc43.i686 libpsl-0.21.5-6.fc43.i686 libselinux-3.9-5.fc44.i686 libselinux-utils-3.9-5.fc44.i686 libsemanage-3.9-4.fc44.i686 libsepol-3.9-2.fc43.i686 libsmartcols-2.41.1-17.fc44.i686 libssh-0.11.3-1.fc44.i686 libssh-config-0.11.3-1.fc44.noarch libstdc++-15.2.1-1.fc44.1.i686 libtasn1-4.20.0-2.fc43.i686 libtool-ltdl-2.5.4-7.fc43.i686 libunistring-1.1-10.fc43.i686 libusb1-1.0.29-4.fc44.i686 libuuid-2.41.1-17.fc44.i686 libverto-0.3.2-11.fc43.i686 libxcrypt-4.4.38-9.fc44.i686 libxml2-2.12.10-5.fc44.i686 libzstd-1.5.7-2.fc43.i686 linkdupes-0.7.2-1.fc44.i686 lua-libs-5.4.8-2.fc43.i686 lua-srpm-macros-1-16.fc43.noarch lz4-libs-1.10.0-3.fc43.i686 mpfr-4.2.2-2.fc43.i686 ncurses-base-6.5-7.20250614.fc43.noarch ncurses-libs-6.5-7.20250614.fc43.i686 nettle-3.10.1-2.fc43.i686 npth-1.8-3.fc43.i686 ocaml-srpm-macros-11-2.fc43.noarch openblas-srpm-macros-2-20.fc43.noarch openldap-2.6.10-4.fc44.i686 openssl-libs-3.5.1-3.fc44.i686 p11-kit-0.25.8-1.fc44.i686 p11-kit-trust-0.25.8-1.fc44.i686 package-notes-srpm-macros-0.5-14.fc43.noarch pam-libs-1.7.1-3.fc43.i686 patch-2.8-2.fc43.i686 pcre2-10.46-1.fc44.i686 pcre2-syntax-10.46-1.fc44.noarch perl-srpm-macros-1-60.fc43.noarch pkgconf-2.3.0-3.fc43.i686 pkgconf-m4-2.3.0-3.fc43.noarch pkgconf-pkg-config-2.3.0-3.fc43.i686 policycoreutils-3.9-4.fc44.i686 popt-1.19-9.fc43.i686 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.i686 redhat-rpm-config-343-13.fc44.noarch rpm-5.99.92-2.fc44.i686 rpm-build-5.99.92-2.fc44.i686 rpm-build-libs-5.99.92-2.fc44.i686 rpm-libs-5.99.92-2.fc44.i686 rpm-plugin-selinux-5.99.92-2.fc44.i686 rpm-sequoia-1.9.0-2.fc43.i686 rpm-sign-libs-5.99.92-2.fc44.i686 rust-srpm-macros-26.4-1.fc44.noarch sed-4.9-5.fc43.i686 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.i686 sqlite-libs-3.50.2-2.fc43.i686 systemd-libs-258-1.fc44.i686 systemd-standalone-sysusers-258-1.fc44.i686 tar-1.35-6.fc43.i686 tpm2-tss-4.1.3-8.fc43.i686 tree-sitter-srpm-macros-0.4.2-1.fc43.noarch unzip-6.0-68.fc44.i686 util-linux-2.41.1-17.fc44.i686 util-linux-core-2.41.1-17.fc44.i686 which-2.23-3.fc43.i686 xxhash-libs-0.8.3-3.fc43.i686 xz-5.8.1-2.fc43.i686 xz-libs-5.8.1-2.fc43.i686 zig-srpm-macros-1-5.fc43.noarch zip-3.0-44.fc43.i686 zlib-ng-compat-2.2.5-2.fc44.i686 zstd-1.5.7-2.fc43.i686 Start: buildsrpm Start: rpmbuild -bs Building target platforms: i686 Building for target i686 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-43-i686-1758462718.539132/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-rc_6gxki/xtb/xtb.spec) Config(child) 0 minutes 33 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-43-i686) Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-43-i686-bootstrap-1758462718.539132/root. INFO: reusing tmpfs at /var/lib/mock/fedora-43-i686-bootstrap-1758462718.539132/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-43-i686-1758462718.539132/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-5.99.91-5.fc43.x86_64 rpm-sequoia-1.9.0-2.fc43.x86_64 dnf5-5.2.17.0-1.fc43.x86_64 dnf5-plugins-5.2.17.0-1.fc43.x86_64 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: i686 Building for target i686 setting SOURCE_DATE_EPOCH=1758412800 Wrote: /builddir/build/SRPMS/xtb-6.7.1-5.fc44.src.rpm Updating and loading repositories: Copr repository 100% | 21.6 KiB/s | 1.5 KiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 53.9 KiB/s | 3.8 KiB | 00m00s local 100% | 48.5 KiB/s | 3.5 KiB | 00m00s Repositories loaded. Package Arch Version Repository Size Installing: dftd4-devel i686 3.7.0-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 325.4 KiB flexiblas-devel i686 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.5 MiB gcc-gfortran i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41.2 MiB hostname i686 3.25-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40.5 KiB mctc-lib-devel i686 0.3.2-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 192.5 KiB meson noarch 1.9.0-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 13.4 MiB multicharge-devel i686 0.3.0-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 151.4 KiB ninja-build i686 1.13.1-3.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 488.0 KiB rubygem-asciidoctor noarch 2.0.20-10.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB test-drive-devel i686 0.4.0-10.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 15.8 KiB Installing dependencies: annobin-docs noarch 12.99-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 98.9 KiB annobin-plugin-gcc i686 12.99-1.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB cmake-filesystem i686 3.31.6-4.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B cpp i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 38.8 MiB dftd4 i686 3.7.0-8.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 687.0 KiB expat i686 2.7.2-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 301.1 KiB flexiblas i686 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 50.4 KiB flexiblas-netlib i686 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11.7 MiB flexiblas-openblas-openmp i686 3.4.5-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26.5 KiB gcc i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 109.4 MiB gcc-plugin-annobin i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 59.9 KiB glibc-devel i686 2.42.9000-5.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.3 MiB json-fortran i686 8.3.0-10.fc42 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 283.5 KiB json-fortran-devel i686 8.3.0-10.fc42 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 89.0 KiB kernel-headers i686 6.17.0-0.rc6.49.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.7 MiB libasan i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 MiB libatomic i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 23.6 KiB libgfortran i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.3 MiB libmpc i686 1.3.1-8.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 163.9 KiB libquadmath i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 509.2 KiB libquadmath-devel i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 22.1 KiB libubsan i686 15.2.1-1.fc44.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 550.9 KiB libxcrypt-devel i686 4.4.38-9.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30.8 KiB libyaml i686 0.2.5-17.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 129.9 KiB make i686 1:4.4.1-11.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.8 MiB mctc-lib i686 0.3.2-3.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 349.5 KiB mpdecimal i686 4.0.1-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 216.3 KiB multicharge i686 0.3.0-5.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 177.9 KiB openblas i686 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 111.7 KiB openblas-openmp i686 0.3.29-2.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 25.6 MiB python-pip-wheel noarch 25.2-4.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 MiB python3 i686 3.14.0~rc3-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 28.0 KiB python3-libs i686 3.14.0~rc3-1.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 42.6 MiB python3-setuptools noarch 78.1.1-15.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.0 MiB ruby i686 3.4.5-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 84.6 KiB ruby-default-gems noarch 3.4.5-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 65.9 KiB ruby-libs i686 3.4.5-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 13.8 MiB rubygem-io-console i686 0.8.1-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 32.4 KiB rubygem-psych i686 5.2.2-27.fc44 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 135.9 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 i686 0.4.0-10.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 94.4 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: 54 packages Total size of inbound packages is 102 MiB. Need to download 102 MiB. After this operation, 336 MiB extra will be used (install 336 MiB, remove 0 B). [ 1/54] dftd4-devel-0:3.7.0-8.fc44.i686 100% | 2.4 MiB/s | 324.9 KiB | 00m00s [ 2/54] hostname-0:3.25-3.fc43.i686 100% | 1.1 MiB/s | 27.9 KiB | 00m00s [ 3/54] mctc-lib-devel-0:0.3.2-3.fc43.i 100% | 5.0 MiB/s | 196.5 KiB | 00m00s [ 4/54] gcc-gfortran-0:15.2.1-1.fc44.1. 100% | 41.7 MiB/s | 14.4 MiB | 00m00s [ 5/54] multicharge-devel-0:0.3.0-5.fc4 100% | 5.7 MiB/s | 157.9 KiB | 00m00s [ 6/54] ninja-build-0:1.13.1-3.fc44.i68 100% | 7.9 MiB/s | 209.9 KiB | 00m00s [ 7/54] meson-0:1.9.0-3.fc44.noarch 100% | 11.1 MiB/s | 2.3 MiB | 00m00s [ 8/54] rubygem-asciidoctor-0:2.0.20-10 100% | 8.4 MiB/s | 248.8 KiB | 00m00s [ 9/54] test-drive-devel-0:0.4.0-10.fc4 100% | 633.1 KiB/s | 17.1 KiB | 00m00s [10/54] dftd4-0:3.7.0-8.fc44.i686 100% | 8.6 MiB/s | 229.3 KiB | 00m00s [11/54] flexiblas-0:3.4.5-5.fc44.i686 100% | 1.0 MiB/s | 26.0 KiB | 00m00s [12/54] flexiblas-netlib-0:3.4.5-5.fc44 100% | 42.1 MiB/s | 3.3 MiB | 00m00s [13/54] libgfortran-0:15.2.1-1.fc44.1.i 100% | 28.1 MiB/s | 863.8 KiB | 00m00s [14/54] gcc-0:15.2.1-1.fc44.1.i686 100% | 182.8 MiB/s | 39.1 MiB | 00m00s [15/54] libquadmath-devel-0:15.2.1-1.fc 100% | 1.6 MiB/s | 44.9 KiB | 00m00s [16/54] flexiblas-openblas-openmp-0:3.4 100% | 660.9 KiB/s | 17.2 KiB | 00m00s [17/54] cpp-0:15.2.1-1.fc44.1.i686 100% | 150.2 MiB/s | 12.9 MiB | 00m00s [18/54] cmake-filesystem-0:3.31.6-4.fc4 100% | 571.5 KiB/s | 15.4 KiB | 00m00s [19/54] test-drive-0:0.4.0-10.fc43.i686 100% | 1.5 MiB/s | 40.5 KiB | 00m00s [20/54] rubygems-0:3.6.9-27.fc44.noarch 100% | 12.5 MiB/s | 357.3 KiB | 00m00s [21/54] rubypick-0:1.1.1-23.fc43.noarch 100% | 377.9 KiB/s | 9.8 KiB | 00m00s [22/54] python3-0:3.14.0~rc3-1.fc44.i68 100% | 1.0 MiB/s | 27.5 KiB | 00m00s [23/54] python3-libs-0:3.14.0~rc3-1.fc4 100% | 129.8 MiB/s | 9.6 MiB | 00m00s [24/54] vim-filesystem-2:9.1.1775-1.fc4 100% | 593.5 KiB/s | 15.4 KiB | 00m00s [25/54] multicharge-0:0.3.0-5.fc43.i686 100% | 2.9 MiB/s | 77.6 KiB | 00m00s [26/54] mctc-lib-0:0.3.2-3.fc43.i686 100% | 4.9 MiB/s | 134.4 KiB | 00m00s [27/54] flexiblas-devel-0:3.4.5-5.fc44. 100% | 21.1 KiB/s | 108.3 KiB | 00m05s [28/54] json-fortran-devel-0:8.3.0-10.f 100% | 2.4 MiB/s | 90.6 KiB | 00m00s [29/54] json-fortran-0:8.3.0-10.fc42.i6 100% | 2.5 MiB/s | 100.1 KiB | 00m00s [30/54] libmpc-0:1.3.1-8.fc43.i686 100% | 2.9 MiB/s | 76.5 KiB | 00m00s [31/54] glibc-devel-0:2.42.9000-5.fc44. 100% | 7.8 MiB/s | 495.8 KiB | 00m00s [32/54] libasan-0:15.2.1-1.fc44.1.i686 100% | 10.9 MiB/s | 558.4 KiB | 00m00s [33/54] libatomic-0:15.2.1-1.fc44.1.i68 100% | 1.5 MiB/s | 40.5 KiB | 00m00s [34/54] libubsan-0:15.2.1-1.fc44.1.i686 100% | 9.2 MiB/s | 255.6 KiB | 00m00s [35/54] make-1:4.4.1-11.fc43.i686 100% | 14.3 MiB/s | 584.4 KiB | 00m00s [36/54] openblas-openmp-0:0.3.29-2.fc43 100% | 55.0 MiB/s | 4.2 MiB | 00m00s [37/54] ruby-0:3.4.5-27.fc44.i686 100% | 1.5 MiB/s | 39.6 KiB | 00m00s [38/54] ruby-libs-0:3.4.5-27.fc44.i686 100% | 82.6 MiB/s | 3.6 MiB | 00m00s [39/54] rubygem-psych-0:5.2.2-27.fc44.i 100% | 2.0 MiB/s | 51.9 KiB | 00m00s [40/54] libquadmath-0:15.2.1-1.fc44.1.i 100% | 49.3 KiB/s | 250.2 KiB | 00m05s [41/54] libyaml-0:0.2.5-17.fc43.i686 100% | 2.3 MiB/s | 62.3 KiB | 00m00s [42/54] ruby-default-gems-0:3.4.5-27.fc 100% | 1.2 MiB/s | 33.1 KiB | 00m00s [43/54] rubygem-io-console-0:0.8.1-27.f 100% | 1.0 MiB/s | 26.1 KiB | 00m00s [44/54] expat-0:2.7.2-1.fc44.i686 100% | 4.6 MiB/s | 123.2 KiB | 00m00s [45/54] mpdecimal-0:4.0.1-2.fc43.i686 100% | 3.7 MiB/s | 99.1 KiB | 00m00s [46/54] tzdata-0:2025b-3.fc43.noarch 100% | 15.0 MiB/s | 429.3 KiB | 00m00s [47/54] python-pip-wheel-0:25.2-4.fc44. 100% | 22.7 MiB/s | 1.1 MiB | 00m00s [48/54] openblas-0:0.3.29-2.fc43.i686 100% | 1.6 MiB/s | 42.2 KiB | 00m00s [49/54] kernel-headers-0:6.17.0-0.rc6.4 100% | 48.1 MiB/s | 1.5 MiB | 00m00s [50/54] libxcrypt-devel-0:4.4.38-9.fc44 100% | 1.1 MiB/s | 29.2 KiB | 00m00s [51/54] gcc-plugin-annobin-0:15.2.1-1.f 100% | 2.1 MiB/s | 56.4 KiB | 00m00s [52/54] annobin-plugin-gcc-0:12.99-1.fc 100% | 31.4 MiB/s | 996.6 KiB | 00m00s [53/54] annobin-docs-0:12.99-1.fc43.noa 100% | 3.2 MiB/s | 89.5 KiB | 00m00s [54/54] python3-setuptools-0:78.1.1-15. 100% | 383.0 KiB/s | 1.9 MiB | 00m05s -------------------------------------------------------------------------------- [54/54] Total 100% | 16.3 MiB/s | 101.6 MiB | 00m06s Running transaction [ 1/56] Verify package files 100% | 141.0 B/s | 54.0 B | 00m00s [ 2/56] Prepare transaction 100% | 1.0 KiB/s | 54.0 B | 00m00s [ 3/56] Installing libgfortran-0:15.2.1 100% | 296.9 MiB/s | 3.3 MiB | 00m00s [ 4/56] Installing ruby-libs-0:3.4.5-27 100% | 266.1 MiB/s | 13.8 MiB | 00m00s [ 5/56] Installing libmpc-0:1.3.1-8.fc4 100% | 161.5 MiB/s | 165.4 KiB | 00m00s [ 6/56] Installing libquadmath-0:15.2.1 100% | 249.2 MiB/s | 510.3 KiB | 00m00s [ 7/56] Installing cmake-filesystem-0:3 100% | 7.4 MiB/s | 7.6 KiB | 00m00s [ 8/56] Installing annobin-docs-0:12.99 100% | 48.9 MiB/s | 100.1 KiB | 00m00s [ 9/56] Installing kernel-headers-0:6.1 100% | 180.9 MiB/s | 6.9 MiB | 00m00s [10/56] Installing glibc-devel-0:2.42.9 100% | 167.5 MiB/s | 2.3 MiB | 00m00s [11/56] Installing libxcrypt-devel-0:4. 100% | 32.3 MiB/s | 33.1 KiB | 00m00s [12/56] Installing openblas-0:0.3.29-2. 100% | 36.9 MiB/s | 113.5 KiB | 00m00s [13/56] Installing tzdata-0:2025b-3.fc4 100% | 57.3 MiB/s | 1.9 MiB | 00m00s [14/56] Installing python-pip-wheel-0:2 100% | 393.3 MiB/s | 1.2 MiB | 00m00s [15/56] Installing vim-filesystem-2:9.1 100% | 4.6 MiB/s | 4.7 KiB | 00m00s [16/56] Installing json-fortran-0:8.3.0 100% | 278.3 MiB/s | 285.0 KiB | 00m00s [17/56] Installing mctc-lib-0:0.3.2-3.f 100% | 22.9 MiB/s | 351.5 KiB | 00m00s [18/56] Installing openblas-openmp-0:0. 100% | 457.4 MiB/s | 25.6 MiB | 00m00s [19/56] Installing flexiblas-0:3.4.5-5. 100% | 0.0 B/s | 51.6 KiB | 00m00s [20/56] Installing flexiblas-openblas-o 100% | 0.0 B/s | 27.4 KiB | 00m00s [21/56] Installing flexiblas-netlib-0:3 100% | 244.6 MiB/s | 11.7 MiB | 00m00s [22/56] Installing multicharge-0:0.3.0- 100% | 12.5 MiB/s | 179.9 KiB | 00m00s [23/56] Installing dftd4-0:3.7.0-8.fc44 100% | 44.9 MiB/s | 689.3 KiB | 00m00s [24/56] Installing cpp-0:15.2.1-1.fc44. 100% | 278.9 MiB/s | 38.8 MiB | 00m00s [25/56] Installing ruby-0:3.4.5-27.fc44 100% | 6.0 MiB/s | 86.3 KiB | 00m00s [26/56] Installing rubypick-0:1.1.1-23. 100% | 393.9 KiB/s | 5.1 KiB | 00m00s [27/56] Installing test-drive-0:0.4.0-1 100% | 93.7 MiB/s | 96.0 KiB | 00m00s [28/56] Installing mpdecimal-0:4.0.1-2. 100% | 212.8 MiB/s | 217.9 KiB | 00m00s [29/56] Installing expat-0:2.7.2-1.fc44 100% | 16.5 MiB/s | 303.2 KiB | 00m00s [30/56] Installing python3-libs-0:3.14. 100% | 271.9 MiB/s | 43.0 MiB | 00m00s [31/56] Installing python3-0:3.14.0~rc3 100% | 1.8 MiB/s | 29.8 KiB | 00m00s [32/56] Installing python3-setuptools-0 100% | 214.4 MiB/s | 9.2 MiB | 00m00s [33/56] Installing ninja-build-0:1.13.1 100% | 30.0 MiB/s | 491.1 KiB | 00m00s [34/56] Installing libyaml-0:0.2.5-17.f 100% | 128.2 MiB/s | 131.3 KiB | 00m00s [35/56] Installing rubygems-0:3.6.9-27. 100% | 62.2 MiB/s | 1.5 MiB | 00m00s [36/56] Installing rubygem-io-console-0 100% | 34.0 MiB/s | 34.8 KiB | 00m00s [37/56] Installing ruby-default-gems-0: 100% | 5.0 MiB/s | 76.2 KiB | 00m00s [38/56] Installing rubygem-psych-0:5.2. 100% | 70.7 MiB/s | 144.7 KiB | 00m00s [39/56] Installing make-1:4.4.1-11.fc43 100% | 100.7 MiB/s | 1.8 MiB | 00m00s [40/56] Installing libubsan-0:15.2.1-1. 100% | 269.4 MiB/s | 551.7 KiB | 00m00s [41/56] Installing libatomic-0:15.2.1-1 100% | 0.0 B/s | 24.4 KiB | 00m00s [42/56] Installing libasan-0:15.2.1-1.f 100% | 379.2 MiB/s | 1.9 MiB | 00m00s [43/56] Installing rubygem-asciidoctor- 100% | 52.6 MiB/s | 1.0 MiB | 00m00s [44/56] Installing meson-0:1.9.0-3.fc44 100% | 226.1 MiB/s | 13.6 MiB | 00m00s [45/56] Installing test-drive-devel-0:0 100% | 16.9 MiB/s | 17.3 KiB | 00m00s [46/56] Installing gcc-0:15.2.1-1.fc44. 100% | 321.1 MiB/s | 109.5 MiB | 00m00s [47/56] Installing libquadmath-devel-0: 100% | 23.1 MiB/s | 23.6 KiB | 00m00s [48/56] Installing gcc-gfortran-0:15.2. 100% | 274.6 MiB/s | 41.2 MiB | 00m00s [49/56] Installing json-fortran-devel-0 100% | 89.1 MiB/s | 91.3 KiB | 00m00s [50/56] Installing mctc-lib-devel-0:0.3 100% | 194.7 MiB/s | 199.4 KiB | 00m00s [51/56] Installing multicharge-devel-0: 100% | 150.4 MiB/s | 154.0 KiB | 00m00s [52/56] Installing dftd4-devel-0:3.7.0- 100% | 321.7 MiB/s | 329.4 KiB | 00m00s [53/56] Installing gcc-plugin-annobin-0 100% | 4.3 MiB/s | 61.5 KiB | 00m00s [54/56] Installing annobin-plugin-gcc-0 100% | 55.0 MiB/s | 1.0 MiB | 00m00s [55/56] Installing flexiblas-devel-0:3. 100% | 129.4 MiB/s | 2.5 MiB | 00m00s [56/56] Installing hostname-0:3.25-3.fc 100% | 251.4 KiB/s | 43.5 KiB | 00m00s Warning: skipped OpenPGP checks for 54 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: i686 Building for target i686 setting SOURCE_DATE_EPOCH=1758412800 Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.pM51uO Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.DggZtD + 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 . + echo 'Patch #0 (xtb-6.5.1-fedora.patch):' 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.coS3kf + 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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/lib: + 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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/lib: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/meson setup --buildtype=plain --prefix=/usr --libdir=/usr/lib --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: x86 Host machine cpu: i686 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/lib 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 13:52:48 UTC 2025' + cat + ninja -C redhat-linux-build -j 4 --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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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] 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 ; | ^ [3/335] /usr/bin/meson --internal depscan libxtb.so.6.7.1.p/depscan.json libxtb.so.6.7.1.p/xtb.dat [4/335] /usr/bin/meson --internal depaccumulate libxtb.so.6.7.1.p/depscan.dd libxtb.so.6.7.1.p/depscan.json [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [17/335] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/modules -I/usr/include/multicharge/gcc-15.1.1 -I/usr/include/dftd4/gcc-15.2.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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(:, :) | ^~~~~~~~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 ../src/elem.f90: In function ‘elem_’: ../src/elem.f90:48:8: warning: ‘l’ may be used uninitialized [-Wmaybe-uninitialized] 48 | do j=1,l | ^ ../src/elem.f90:45:28: note: ‘l’ was declared here 45 | if(key1(i:i).ne.' ') L=i | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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) [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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) | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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) | ^~~~~~~~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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) | ^~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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(:,:) | ^~~~~~~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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(:,:) | ^~~~~~~~~~~~~~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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) & | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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.f90:167:18: 167 | ptr_geometry = size_info + ptr_info | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] ../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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~~~~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~~~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 4 --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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 libxtb.a.p/depscan.json libxtb.a.p/xtb.dat [3/48] /usr/bin/meson --internal depscan xtb.p/depscan.json xtb.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] /usr/bin/meson --internal depaccumulate test/unit/tester.p/depscan.dd test/unit/tester.p/depscan.json libxtb.a.p/depscan.json [7/48] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [17/48] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~ [18/48] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 | ^~~ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [36/48] gcc -o test/api/xtb_c_test test/api/xtb_c_test.p/c_api_example.c.o -L/usr/lib/gcc/i686-redhat-linux/15 -L/usr/lib -L/usr/lib/gcc/i686-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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib/libmctc-lib.so /usr/lib/libmulticharge.so /usr/lib/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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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] [45/48] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -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 [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 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 -L/usr/lib/gcc/i686-redhat-linux/15 -L/usr/lib -L/usr/lib/gcc/i686-redhat-linux/15/../../.. -L/lib -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group -lflexiblas -fopenmp -pthread /usr/lib/libmctc-lib.so /usr/lib/libmulticharge.so /usr/lib/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/i686-redhat-linux/15 -L/usr/lib -L/usr/lib/gcc/i686-redhat-linux/15/../../.. -L/lib -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib/libmctc-lib.so /usr/lib/libmulticharge.so /usr/lib/libdftd4.so /usr/lib/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/i686-redhat-linux/15 -L/usr/lib -L/usr/lib/gcc/i686-redhat-linux/15/../../.. -L/lib -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib/libmctc-lib.so /usr/lib/libmulticharge.so /usr/lib/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 4 -v + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.iwVpVL + 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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/lib: + 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/lib Installing libxtb.a to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib 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/lib/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/lib/libxtb.so.6 Installing symlink pointing to libxtb.so.6 to /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib/libxtb.so + rm /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT/usr/lib/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 -j4 --strict-build-id -m -i --build-id-seed 6.7.1-5.fc44 --unique-debug-suffix -6.7.1-5.fc44.i386 --unique-debug-src-base xtb-6.7.1-5.fc44.i386 --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.i386 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 -j4 + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/bin/add-det --brp -j4 /builddir/build/BUILD/xtb-6.7.1-build/BUILDROOT Scanned 50 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.fP1pKu + 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib/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/lib: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.7.1 ++ hostname + export HOSTNAME=877949ccbdd6479490e16366bcc60c01 + HOSTNAME=877949ccbdd6479490e16366bcc60c01 + export OMP_NUM_THREADS=1 + OMP_NUM_THREADS=1 + /usr/bin/meson test -C redhat-linux-build --num-processes 4 --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 0.11s 3/33 xtb:unit / coordinationnumber OK 0.23s 4/33 xtb:unit / docking OK 0.39s 5/33 xtb:unit / eeq OK 0.25s 6/33 xtb:unit / gfn0 OK 0.62s 7/33 xtb:unit / coulomb OK 1.66s 8/33 xtb:unit / dftd3 OK 1.80s 9/33 xtb:unit / dftd4 OK 2.86s 10/33 xtb:unit / hessian OK 0.07s 11/33 xtb:unit / iff OK 0.42s 12/33 xtb:unit / latticepoint OK 0.02s 13/33 xtb:unit / molecule OK 0.02s 14/33 xtb:unit / oniom OK 0.09s 15/33 xtb:unit / dipro OK 0.02s 16/33 xtb:unit / pbc-tools OK 0.02s 17/33 xtb:unit / peeq OK 0.27s 18/33 xtb:unit / repulsion OK 0.60s 19/33 xtb:unit / symmetry OK 0.09s 20/33 xtb:unit / tblite OK 0.02s 21/33 xtb:unit / thermo OK 0.02s 22/33 xtb:unit / vertical OK 0.06s 23/33 xtb:unit / wsc OK 0.02s 24/33 xtb:unit / cpx OK 0.02s 25/33 xtb:unit / ptb OK 0.02s 26/33 xtb / Argparser print version OK 0.02s 27/33 xtb / Argparser print help OK 0.02s 28/33 xtb / Argparser print license OK 0.02s 29/33 xtb:unit / gfn2 OK 3.26s 30/33 xtb:unit / gfn1 OK 3.45s 31/33 xtb / Argparser no arguments EXPECTEDFAIL 0.12s exit status 1 32/33 xtb / Info OK 0.02s 33/33 xtb:unit / gfnff OK 8.33s 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.i686 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.IWVw8J + 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.BOoqJF + 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(x86-32) = 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 libc.so.6(GLIBC_2.0) libc.so.6(GLIBC_2.1.3) libc.so.6(GLIBC_2.3.4) libc.so.6(GLIBC_2.34) libc.so.6(GLIBC_2.4) libc.so.6(GLIBC_ABI_DT_RELR) libc.so.6(GLIBC_ABI_GNU_TLS) libflexiblas.so.3 libgcc_s.so.1 libgcc_s.so.1(GCC_3.0) libgcc_s.so.1(GCC_3.3.1) libgcc_s.so.1(GCC_4.0.0) libgfortran.so.5 libgfortran.so.5(GFORTRAN_10) libgfortran.so.5(GFORTRAN_8) libgomp.so.1 libgomp.so.1(GOMP_1.0) libgomp.so.1(GOMP_4.0) libgomp.so.1(GOMP_4.5) libgomp.so.1(GOMP_5.0) libgomp.so.1(OMP_1.0) libm.so.6 libm.so.6(GLIBC_2.0) libm.so.6(GLIBC_2.1) libm.so.6(GLIBC_2.29) libmctc-lib.so.0 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.i686 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.DyUMoN + 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 xtb-libs = 6.7.1-5.fc44 xtb-libs(x86-32) = 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 libc.so.6(GLIBC_2.0) libc.so.6(GLIBC_2.1) libc.so.6(GLIBC_2.1.3) libc.so.6(GLIBC_2.3.4) libc.so.6(GLIBC_2.4) libc.so.6(GLIBC_2.7) libc.so.6(GLIBC_ABI_DT_RELR) libflexiblas.so.3 libgcc_s.so.1 libgcc_s.so.1(GCC_3.0) libgcc_s.so.1(GCC_3.3.1) libgcc_s.so.1(GCC_4.0.0) libgfortran.so.5 libgfortran.so.5(GFORTRAN_10) libgfortran.so.5(GFORTRAN_8) libgomp.so.1 libgomp.so.1(GOMP_1.0) libgomp.so.1(GOMP_4.0) libgomp.so.1(GOMP_4.5) libgomp.so.1(GOMP_5.0) libgomp.so.1(OMP_1.0) libm.so.6 libm.so.6(GLIBC_2.0) libm.so.6(GLIBC_2.1) libm.so.6(GLIBC_2.29) libmctc-lib.so.0 rtld(GNU_HASH) Processing files: xtb-devel-6.7.1-5.fc44.i686 Provides: pkgconfig(xtb) = 6.7.1 xtb-devel = 6.7.1-5.fc44 xtb-devel(x86-32) = 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 Processing files: xtb-debugsource-6.7.1-5.fc44.i686 Provides: xtb-debugsource = 6.7.1-5.fc44 xtb-debugsource(x86-32) = 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.i686 Provides: debuginfo(build-id) = 7a5441becf614ce1ce7695c4a8cb98c71e69d3c7 xtb-debuginfo = 6.7.1-5.fc44 xtb-debuginfo(x86-32) = 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(x86-32) = 6.7.1-5.fc44 Processing files: xtb-libs-debuginfo-6.7.1-5.fc44.i686 Provides: debuginfo(build-id) = d5ddc3314387b1a99b338c6351cad245ebe6363e libxtb.so.6.7.1-6.7.1-5.fc44.i386.debug xtb-libs-debuginfo = 6.7.1-5.fc44 xtb-libs-debuginfo(x86-32) = 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(x86-32) = 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-debuginfo-6.7.1-5.fc44.i686.rpm Wrote: /builddir/build/RPMS/xtb-libs-debuginfo-6.7.1-5.fc44.i686.rpm Wrote: /builddir/build/RPMS/xtb-libs-6.7.1-5.fc44.i686.rpm Wrote: /builddir/build/RPMS/xtb-devel-6.7.1-5.fc44.i686.rpm Wrote: /builddir/build/RPMS/xtb-data-6.7.1-5.fc44.noarch.rpm Wrote: /builddir/build/RPMS/xtb-debugsource-6.7.1-5.fc44.i686.rpm Wrote: /builddir/build/RPMS/xtb-6.7.1-5.fc44.i686.rpm Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.4wNybO + 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-43-i686-1758462718.539132/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) 5 minutes 3 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": "i686" }, { "name": "xtb-debugsource", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "i686" }, { "name": "xtb-debuginfo", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "i686" }, { "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": "i686" }, { "name": "xtb", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "i686" }, { "name": "xtb", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "src" }, { "name": "xtb-libs-debuginfo", "epoch": null, "version": "6.7.1", "release": "5.fc44", "arch": "i686" } ] } RPMResults finished